USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot 150:sc= -0.812 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0.00269 USER MOD Set 1.3: A 91 ASN : amide:sc= -3.74! C(o=-4.6!,f=-8.5!) USER MOD Set 2.1: A 70 MET CE :methyl 177:sc= 0 (180deg=0) USER MOD Set 2.2: A 78 MET CE :methyl -160:sc= -0.567 (180deg=-1.24!) USER MOD Set 3.1: A 57 TYR OH : rot 180:sc=-0.00274 USER MOD Set 3.2: A 98 HIS : no HE2:sc= 0.562 K(o=0.56,f=-1.2!) USER MOD Set 4.1: A 42 THR OG1 : rot -73:sc= 1.34 USER MOD Set 4.2: A 45 HIS : no HD1:sc= -0.145 K(o=1.2,f=-2.8) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.4 K(o=-0.4,f=-2.4!) USER MOD Single : A 55 LYS NZ :NH3+ 153:sc= -0.0866 (180deg=-0.491) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0454 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.378) USER MOD Single : A 76 CYS SG : rot -30:sc= 0.672 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0311 X(o=-0.031,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -120:sc= 0.243 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 68:sc= 0.88 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 459 N ILE A 33 66.868 38.606 -6.397 1.00 0.00 N ATOM 460 CA ILE A 33 67.974 38.577 -7.347 1.00 0.00 C ATOM 461 C ILE A 33 67.712 39.510 -8.524 1.00 0.00 C ATOM 462 O ILE A 33 68.642 40.064 -9.109 1.00 0.00 O ATOM 463 CB ILE A 33 68.220 37.153 -7.880 1.00 0.00 C ATOM 464 CG1 ILE A 33 69.484 37.119 -8.742 1.00 0.00 C ATOM 465 CG2 ILE A 33 67.017 36.669 -8.675 1.00 0.00 C ATOM 466 CD1 ILE A 33 70.208 35.792 -8.701 1.00 0.00 C ATOM 0 HA ILE A 33 68.861 38.914 -6.810 1.00 0.00 H new ATOM 0 HB ILE A 33 68.363 36.483 -7.032 1.00 0.00 H new ATOM 0 HG12 ILE A 33 69.216 37.346 -9.774 1.00 0.00 H new ATOM 0 HG13 ILE A 33 70.162 37.904 -8.409 1.00 0.00 H new ATOM 0 HG21 ILE A 33 67.207 35.661 -9.045 1.00 0.00 H new ATOM 0 HG22 ILE A 33 66.136 36.660 -8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 33 66.845 37.338 -9.518 1.00 0.00 H new ATOM 0 HD11 ILE A 33 71.094 35.841 -9.335 1.00 0.00 H new ATOM 0 HD12 ILE A 33 70.507 35.572 -7.676 1.00 0.00 H new ATOM 0 HD13 ILE A 33 69.546 35.005 -9.063 1.00 0.00 H new ATOM 478 N VAL A 34 66.438 39.681 -8.865 1.00 0.00 N ATOM 479 CA VAL A 34 66.053 40.549 -9.970 1.00 0.00 C ATOM 480 C VAL A 34 64.641 41.092 -9.777 1.00 0.00 C ATOM 481 O VAL A 34 63.725 40.376 -9.373 1.00 0.00 O ATOM 482 CB VAL A 34 66.126 39.808 -11.318 1.00 0.00 C ATOM 483 CG1 VAL A 34 65.062 40.328 -12.273 1.00 0.00 C ATOM 484 CG2 VAL A 34 67.513 39.945 -11.928 1.00 0.00 C ATOM 0 H VAL A 34 65.656 39.229 -8.391 1.00 0.00 H new ATOM 0 HA VAL A 34 66.760 41.379 -9.981 1.00 0.00 H new ATOM 0 HB VAL A 34 65.935 38.750 -11.140 1.00 0.00 H new ATOM 0 HG11 VAL A 34 65.130 39.792 -13.220 1.00 0.00 H new ATOM 0 HG12 VAL A 34 64.075 40.172 -11.838 1.00 0.00 H new ATOM 0 HG13 VAL A 34 65.218 41.393 -12.447 1.00 0.00 H new ATOM 0 HG21 VAL A 34 67.546 39.415 -12.880 1.00 0.00 H new ATOM 0 HG22 VAL A 34 67.736 40.999 -12.092 1.00 0.00 H new ATOM 0 HG23 VAL A 34 68.252 39.519 -11.250 1.00 0.00 H new ATOM 494 N PRO A 35 64.460 42.388 -10.072 1.00 0.00 N ATOM 495 CA PRO A 35 63.162 43.055 -9.939 1.00 0.00 C ATOM 496 C PRO A 35 62.154 42.577 -10.979 1.00 0.00 C ATOM 497 O PRO A 35 61.016 42.248 -10.648 1.00 0.00 O ATOM 498 CB PRO A 35 63.498 44.532 -10.161 1.00 0.00 C ATOM 499 CG PRO A 35 64.737 44.518 -10.988 1.00 0.00 C ATOM 500 CD PRO A 35 65.508 43.300 -10.559 1.00 0.00 C ATOM 0 HA PRO A 35 62.696 42.849 -8.976 1.00 0.00 H new ATOM 0 HB2 PRO A 35 62.687 45.050 -10.672 1.00 0.00 H new ATOM 0 HB3 PRO A 35 63.659 45.048 -9.215 1.00 0.00 H new ATOM 0 HG2 PRO A 35 64.497 44.473 -12.050 1.00 0.00 H new ATOM 0 HG3 PRO A 35 65.321 45.425 -10.831 1.00 0.00 H new ATOM 0 HD2 PRO A 35 66.066 42.865 -11.388 1.00 0.00 H new ATOM 0 HD3 PRO A 35 66.230 43.536 -9.778 1.00 0.00 H new ATOM 508 N ALA A 36 62.581 42.539 -12.236 1.00 0.00 N ATOM 509 CA ALA A 36 61.717 42.098 -13.324 1.00 0.00 C ATOM 510 C ALA A 36 62.460 42.111 -14.656 1.00 0.00 C ATOM 511 O ALA A 36 62.839 41.061 -15.176 1.00 0.00 O ATOM 512 CB ALA A 36 60.476 42.976 -13.401 1.00 0.00 C ATOM 0 H ALA A 36 63.521 42.808 -12.527 1.00 0.00 H new ATOM 0 HA ALA A 36 61.411 41.072 -13.119 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.840 42.636 -14.218 1.00 0.00 H new ATOM 0 HB2 ALA A 36 59.926 42.912 -12.462 1.00 0.00 H new ATOM 0 HB3 ALA A 36 60.772 44.010 -13.579 1.00 0.00 H new ATOM 518 N ASP A 37 62.664 43.304 -15.202 1.00 0.00 N ATOM 519 CA ASP A 37 63.362 43.453 -16.474 1.00 0.00 C ATOM 520 C ASP A 37 64.690 44.179 -16.283 1.00 0.00 C ATOM 521 O ASP A 37 64.914 44.863 -15.284 1.00 0.00 O ATOM 522 CB ASP A 37 62.489 44.214 -17.473 1.00 0.00 C ATOM 523 CG ASP A 37 61.828 43.295 -18.481 1.00 0.00 C ATOM 524 OD1 ASP A 37 61.575 42.121 -18.139 1.00 0.00 O ATOM 525 OD2 ASP A 37 61.561 43.751 -19.613 1.00 0.00 O ATOM 0 H ASP A 37 62.356 44.182 -14.784 1.00 0.00 H new ATOM 0 HA ASP A 37 63.566 42.457 -16.867 1.00 0.00 H new ATOM 0 HB2 ASP A 37 61.721 44.768 -16.932 1.00 0.00 H new ATOM 0 HB3 ASP A 37 63.100 44.947 -18.000 1.00 0.00 H new ATOM 530 N PRO A 38 65.593 44.029 -17.263 1.00 0.00 N ATOM 531 CA PRO A 38 66.915 44.662 -17.225 1.00 0.00 C ATOM 532 C PRO A 38 66.838 46.175 -17.396 1.00 0.00 C ATOM 533 O PRO A 38 67.791 46.895 -17.096 1.00 0.00 O ATOM 534 CB PRO A 38 67.647 44.027 -18.410 1.00 0.00 C ATOM 535 CG PRO A 38 66.564 43.614 -19.346 1.00 0.00 C ATOM 536 CD PRO A 38 65.395 43.229 -18.483 1.00 0.00 C ATOM 0 HA PRO A 38 67.413 44.509 -16.267 1.00 0.00 H new ATOM 0 HB2 PRO A 38 68.328 44.736 -18.881 1.00 0.00 H new ATOM 0 HB3 PRO A 38 68.245 43.172 -18.094 1.00 0.00 H new ATOM 0 HG2 PRO A 38 66.300 44.428 -20.020 1.00 0.00 H new ATOM 0 HG3 PRO A 38 66.883 42.777 -19.967 1.00 0.00 H new ATOM 0 HD2 PRO A 38 64.446 43.461 -18.966 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.390 42.161 -18.267 1.00 0.00 H new ATOM 544 N THR A 39 65.695 46.654 -17.879 1.00 0.00 N ATOM 545 CA THR A 39 65.494 48.082 -18.091 1.00 0.00 C ATOM 546 C THR A 39 64.728 48.707 -16.930 1.00 0.00 C ATOM 547 O THR A 39 64.070 49.736 -17.090 1.00 0.00 O ATOM 548 CB THR A 39 64.730 48.354 -19.401 1.00 0.00 C ATOM 549 OG1 THR A 39 63.363 47.950 -19.264 1.00 0.00 O ATOM 550 CG2 THR A 39 65.370 47.611 -20.564 1.00 0.00 C ATOM 0 H THR A 39 64.895 46.074 -18.131 1.00 0.00 H new ATOM 0 HA THR A 39 66.484 48.534 -18.156 1.00 0.00 H new ATOM 0 HB THR A 39 64.773 49.424 -19.606 1.00 0.00 H new ATOM 0 HG1 THR A 39 62.884 48.128 -20.100 1.00 0.00 H new ATOM 0 HG21 THR A 39 64.814 47.818 -21.478 1.00 0.00 H new ATOM 0 HG22 THR A 39 66.401 47.942 -20.684 1.00 0.00 H new ATOM 0 HG23 THR A 39 65.354 46.540 -20.364 1.00 0.00 H new ATOM 558 N LEU A 40 64.817 48.079 -15.763 1.00 0.00 N ATOM 559 CA LEU A 40 64.132 48.575 -14.574 1.00 0.00 C ATOM 560 C LEU A 40 64.892 48.192 -13.308 1.00 0.00 C ATOM 561 O LEU A 40 64.300 48.031 -12.241 1.00 0.00 O ATOM 562 CB LEU A 40 62.707 48.021 -14.514 1.00 0.00 C ATOM 563 CG LEU A 40 61.738 48.543 -15.575 1.00 0.00 C ATOM 564 CD1 LEU A 40 60.432 47.766 -15.535 1.00 0.00 C ATOM 565 CD2 LEU A 40 61.483 50.030 -15.378 1.00 0.00 C ATOM 0 H LEU A 40 65.356 47.226 -15.614 1.00 0.00 H new ATOM 0 HA LEU A 40 64.091 49.662 -14.636 1.00 0.00 H new ATOM 0 HB2 LEU A 40 62.757 46.935 -14.599 1.00 0.00 H new ATOM 0 HB3 LEU A 40 62.293 48.245 -13.531 1.00 0.00 H new ATOM 0 HG LEU A 40 62.191 48.399 -16.556 1.00 0.00 H new ATOM 0 HD11 LEU A 40 59.755 48.152 -16.297 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.630 46.711 -15.726 1.00 0.00 H new ATOM 0 HD13 LEU A 40 59.973 47.877 -14.553 1.00 0.00 H new ATOM 0 HD21 LEU A 40 60.791 50.385 -16.142 1.00 0.00 H new ATOM 0 HD22 LEU A 40 61.051 50.198 -14.391 1.00 0.00 H new ATOM 0 HD23 LEU A 40 62.424 50.574 -15.459 1.00 0.00 H new ATOM 577 N TRP A 41 66.207 48.050 -13.434 1.00 0.00 N ATOM 578 CA TRP A 41 67.049 47.689 -12.300 1.00 0.00 C ATOM 579 C TRP A 41 67.318 48.900 -11.414 1.00 0.00 C ATOM 580 O TRP A 41 66.993 50.032 -11.776 1.00 0.00 O ATOM 581 CB TRP A 41 68.370 47.094 -12.788 1.00 0.00 C ATOM 582 CG TRP A 41 68.333 45.603 -12.933 1.00 0.00 C ATOM 583 CD1 TRP A 41 67.230 44.828 -13.156 1.00 0.00 C ATOM 584 CD2 TRP A 41 69.448 44.707 -12.864 1.00 0.00 C ATOM 585 NE1 TRP A 41 67.593 43.505 -13.229 1.00 0.00 N ATOM 586 CE2 TRP A 41 68.947 43.404 -13.055 1.00 0.00 C ATOM 587 CE3 TRP A 41 70.820 44.879 -12.663 1.00 0.00 C ATOM 588 CZ2 TRP A 41 69.772 42.282 -13.047 1.00 0.00 C ATOM 589 CZ3 TRP A 41 71.637 43.764 -12.656 1.00 0.00 C ATOM 590 CH2 TRP A 41 71.111 42.479 -12.848 1.00 0.00 C ATOM 0 H TRP A 41 66.713 48.179 -14.310 1.00 0.00 H new ATOM 0 HA TRP A 41 66.519 46.942 -11.709 1.00 0.00 H new ATOM 0 HB2 TRP A 41 68.627 47.539 -13.749 1.00 0.00 H new ATOM 0 HB3 TRP A 41 69.162 47.364 -12.089 1.00 0.00 H new ATOM 0 HD1 TRP A 41 66.222 45.201 -13.260 1.00 0.00 H new ATOM 0 HE1 TRP A 41 66.956 42.724 -13.387 1.00 0.00 H new ATOM 0 HE3 TRP A 41 71.235 45.865 -12.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 69.369 41.291 -13.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 72.699 43.885 -12.500 1.00 0.00 H new ATOM 0 HH2 TRP A 41 71.776 41.628 -12.839 1.00 0.00 H new ATOM 601 N THR A 42 67.916 48.657 -10.251 1.00 0.00 N ATOM 602 CA THR A 42 68.228 49.728 -9.314 1.00 0.00 C ATOM 603 C THR A 42 69.733 49.862 -9.113 1.00 0.00 C ATOM 604 O THR A 42 70.519 49.201 -9.792 1.00 0.00 O ATOM 605 CB THR A 42 67.559 49.491 -7.947 1.00 0.00 C ATOM 606 OG1 THR A 42 68.155 48.363 -7.298 1.00 0.00 O ATOM 607 CG2 THR A 42 66.064 49.258 -8.110 1.00 0.00 C ATOM 0 H THR A 42 68.194 47.727 -9.936 1.00 0.00 H new ATOM 0 HA THR A 42 67.838 50.649 -9.747 1.00 0.00 H new ATOM 0 HB THR A 42 67.708 50.381 -7.335 1.00 0.00 H new ATOM 0 HG1 THR A 42 67.863 47.539 -7.741 1.00 0.00 H new ATOM 0 HG21 THR A 42 65.613 49.093 -7.132 1.00 0.00 H new ATOM 0 HG22 THR A 42 65.608 50.131 -8.577 1.00 0.00 H new ATOM 0 HG23 THR A 42 65.899 48.383 -8.738 1.00 0.00 H new ATOM 615 N GLN A 43 70.127 50.720 -8.178 1.00 0.00 N ATOM 616 CA GLN A 43 71.540 50.939 -7.889 1.00 0.00 C ATOM 617 C GLN A 43 72.125 49.763 -7.113 1.00 0.00 C ATOM 618 O GLN A 43 73.324 49.496 -7.186 1.00 0.00 O ATOM 619 CB GLN A 43 71.724 52.232 -7.094 1.00 0.00 C ATOM 620 CG GLN A 43 70.907 52.282 -5.813 1.00 0.00 C ATOM 621 CD GLN A 43 70.174 53.597 -5.639 1.00 0.00 C ATOM 622 OE1 GLN A 43 68.946 53.651 -5.710 1.00 0.00 O ATOM 623 NE2 GLN A 43 70.925 54.668 -5.410 1.00 0.00 N ATOM 0 H GLN A 43 69.489 51.275 -7.608 1.00 0.00 H new ATOM 0 HA GLN A 43 72.071 51.025 -8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 43 72.779 52.349 -6.847 1.00 0.00 H new ATOM 0 HB3 GLN A 43 71.448 53.078 -7.724 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.185 51.466 -5.815 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.566 52.122 -4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.940 54.578 -5.359 1.00 0.00 H new ATOM 0 HE22 GLN A 43 70.487 55.581 -5.285 1.00 0.00 H new ATOM 632 N GLU A 44 71.271 49.065 -6.371 1.00 0.00 N ATOM 633 CA GLU A 44 71.705 47.919 -5.581 1.00 0.00 C ATOM 634 C GLU A 44 71.828 46.673 -6.453 1.00 0.00 C ATOM 635 O GLU A 44 72.804 45.928 -6.357 1.00 0.00 O ATOM 636 CB GLU A 44 70.724 47.659 -4.437 1.00 0.00 C ATOM 637 CG GLU A 44 70.939 48.562 -3.234 1.00 0.00 C ATOM 638 CD GLU A 44 71.986 48.022 -2.279 1.00 0.00 C ATOM 639 OE1 GLU A 44 71.975 46.801 -2.016 1.00 0.00 O ATOM 640 OE2 GLU A 44 72.816 48.820 -1.795 1.00 0.00 O ATOM 0 H GLU A 44 70.275 49.273 -6.301 1.00 0.00 H new ATOM 0 HA GLU A 44 72.686 48.148 -5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 44 69.707 47.793 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 44 70.814 46.620 -4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 44 71.241 49.552 -3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 44 69.995 48.683 -2.702 1.00 0.00 H new ATOM 647 N HIS A 45 70.831 46.452 -7.304 1.00 0.00 N ATOM 648 CA HIS A 45 70.827 45.297 -8.194 1.00 0.00 C ATOM 649 C HIS A 45 72.087 45.268 -9.054 1.00 0.00 C ATOM 650 O HIS A 45 72.522 44.207 -9.501 1.00 0.00 O ATOM 651 CB HIS A 45 69.586 45.319 -9.087 1.00 0.00 C ATOM 652 CG HIS A 45 68.335 44.886 -8.386 1.00 0.00 C ATOM 653 ND1 HIS A 45 67.275 45.735 -8.146 1.00 0.00 N ATOM 654 CD2 HIS A 45 67.978 43.686 -7.874 1.00 0.00 C ATOM 655 CE1 HIS A 45 66.320 45.075 -7.515 1.00 0.00 C ATOM 656 NE2 HIS A 45 66.721 43.829 -7.338 1.00 0.00 N ATOM 0 H HIS A 45 70.016 47.058 -7.396 1.00 0.00 H new ATOM 0 HA HIS A 45 70.808 44.397 -7.580 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.445 46.328 -9.474 1.00 0.00 H new ATOM 0 HB3 HIS A 45 69.755 44.669 -9.946 1.00 0.00 H new ATOM 0 HD2 HIS A 45 68.571 42.783 -7.885 1.00 0.00 H new ATOM 0 HE1 HIS A 45 65.372 45.485 -7.198 1.00 0.00 H new ATOM 0 HE2 HIS A 45 66.185 43.093 -6.878 1.00 0.00 H new ATOM 664 N VAL A 46 72.669 46.441 -9.282 1.00 0.00 N ATOM 665 CA VAL A 46 73.879 46.551 -10.088 1.00 0.00 C ATOM 666 C VAL A 46 75.110 46.138 -9.289 1.00 0.00 C ATOM 667 O VAL A 46 76.094 45.656 -9.851 1.00 0.00 O ATOM 668 CB VAL A 46 74.077 47.987 -10.610 1.00 0.00 C ATOM 669 CG1 VAL A 46 75.326 48.073 -11.473 1.00 0.00 C ATOM 670 CG2 VAL A 46 72.851 48.446 -11.384 1.00 0.00 C ATOM 0 H VAL A 46 72.322 47.329 -8.920 1.00 0.00 H new ATOM 0 HA VAL A 46 73.757 45.878 -10.936 1.00 0.00 H new ATOM 0 HB VAL A 46 74.208 48.651 -9.756 1.00 0.00 H new ATOM 0 HG11 VAL A 46 75.450 49.094 -11.833 1.00 0.00 H new ATOM 0 HG12 VAL A 46 76.197 47.788 -10.882 1.00 0.00 H new ATOM 0 HG13 VAL A 46 75.228 47.398 -12.323 1.00 0.00 H new ATOM 0 HG21 VAL A 46 73.008 49.462 -11.745 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.686 47.781 -12.232 1.00 0.00 H new ATOM 0 HG23 VAL A 46 71.979 48.424 -10.730 1.00 0.00 H new ATOM 680 N ARG A 47 75.048 46.328 -7.975 1.00 0.00 N ATOM 681 CA ARG A 47 76.158 45.976 -7.099 1.00 0.00 C ATOM 682 C ARG A 47 76.058 44.520 -6.653 1.00 0.00 C ATOM 683 O ARG A 47 77.006 43.749 -6.802 1.00 0.00 O ATOM 684 CB ARG A 47 76.182 46.894 -5.876 1.00 0.00 C ATOM 685 CG ARG A 47 77.357 47.857 -5.860 1.00 0.00 C ATOM 686 CD ARG A 47 78.389 47.461 -4.815 1.00 0.00 C ATOM 687 NE ARG A 47 78.053 47.978 -3.491 1.00 0.00 N ATOM 688 CZ ARG A 47 78.092 49.268 -3.175 1.00 0.00 C ATOM 689 NH1 ARG A 47 78.449 50.166 -4.082 1.00 0.00 N ATOM 690 NH2 ARG A 47 77.772 49.661 -1.949 1.00 0.00 N ATOM 0 H ARG A 47 74.240 46.724 -7.494 1.00 0.00 H new ATOM 0 HA ARG A 47 77.084 46.104 -7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 47 75.254 47.465 -5.843 1.00 0.00 H new ATOM 0 HB3 ARG A 47 76.212 46.283 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 47 77.824 47.878 -6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 47 76.999 48.866 -5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 47 78.463 46.374 -4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 47 79.368 47.835 -5.113 1.00 0.00 H new ATOM 0 HE ARG A 47 77.773 47.313 -2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 47 78.695 49.868 -5.026 1.00 0.00 H new ATOM 0 HH12 ARG A 47 78.478 51.156 -3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.496 48.973 -1.249 1.00 0.00 H new ATOM 0 HH22 ARG A 47 77.802 50.651 -1.707 1.00 0.00 H new ATOM 704 N GLN A 48 74.904 44.152 -6.107 1.00 0.00 N ATOM 705 CA GLN A 48 74.681 42.789 -5.638 1.00 0.00 C ATOM 706 C GLN A 48 74.939 41.781 -6.754 1.00 0.00 C ATOM 707 O GLN A 48 75.654 40.798 -6.562 1.00 0.00 O ATOM 708 CB GLN A 48 73.252 42.634 -5.115 1.00 0.00 C ATOM 709 CG GLN A 48 73.063 43.153 -3.699 1.00 0.00 C ATOM 710 CD GLN A 48 71.602 43.292 -3.318 1.00 0.00 C ATOM 711 OE1 GLN A 48 70.998 44.348 -3.507 1.00 0.00 O ATOM 712 NE2 GLN A 48 71.027 42.224 -2.779 1.00 0.00 N ATOM 0 H GLN A 48 74.109 44.778 -5.978 1.00 0.00 H new ATOM 0 HA GLN A 48 75.381 42.592 -4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 48 72.571 43.163 -5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 48 72.974 41.580 -5.147 1.00 0.00 H new ATOM 0 HG2 GLN A 48 73.554 42.476 -3.000 1.00 0.00 H new ATOM 0 HG3 GLN A 48 73.553 44.122 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 48 71.566 41.369 -2.641 1.00 0.00 H new ATOM 0 HE22 GLN A 48 70.046 42.258 -2.503 1.00 0.00 H new ATOM 721 N TRP A 49 74.352 42.032 -7.918 1.00 0.00 N ATOM 722 CA TRP A 49 74.518 41.146 -9.065 1.00 0.00 C ATOM 723 C TRP A 49 75.994 40.936 -9.381 1.00 0.00 C ATOM 724 O TRP A 49 76.434 39.811 -9.624 1.00 0.00 O ATOM 725 CB TRP A 49 73.798 41.719 -10.287 1.00 0.00 C ATOM 726 CG TRP A 49 74.043 40.936 -11.541 1.00 0.00 C ATOM 727 CD1 TRP A 49 73.592 39.678 -11.823 1.00 0.00 C ATOM 728 CD2 TRP A 49 74.798 41.359 -12.682 1.00 0.00 C ATOM 729 NE1 TRP A 49 74.022 39.294 -13.070 1.00 0.00 N ATOM 730 CE2 TRP A 49 74.763 40.307 -13.618 1.00 0.00 C ATOM 731 CE3 TRP A 49 75.499 42.524 -13.004 1.00 0.00 C ATOM 732 CZ2 TRP A 49 75.402 40.388 -14.852 1.00 0.00 C ATOM 733 CZ3 TRP A 49 76.133 42.603 -14.229 1.00 0.00 C ATOM 734 CH2 TRP A 49 76.081 41.541 -15.141 1.00 0.00 C ATOM 0 H TRP A 49 73.757 42.842 -8.093 1.00 0.00 H new ATOM 0 HA TRP A 49 74.079 40.181 -8.813 1.00 0.00 H new ATOM 0 HB2 TRP A 49 72.727 41.748 -10.088 1.00 0.00 H new ATOM 0 HB3 TRP A 49 74.121 42.749 -10.441 1.00 0.00 H new ATOM 0 HD1 TRP A 49 72.987 39.074 -11.163 1.00 0.00 H new ATOM 0 HE1 TRP A 49 73.822 38.399 -13.516 1.00 0.00 H new ATOM 0 HE3 TRP A 49 75.544 43.348 -12.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 75.363 39.570 -15.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 76.678 43.499 -14.488 1.00 0.00 H new ATOM 0 HH2 TRP A 49 76.587 41.634 -16.091 1.00 0.00 H new ATOM 745 N LEU A 50 76.757 42.024 -9.375 1.00 0.00 N ATOM 746 CA LEU A 50 78.186 41.958 -9.661 1.00 0.00 C ATOM 747 C LEU A 50 78.908 41.095 -8.632 1.00 0.00 C ATOM 748 O LEU A 50 79.541 40.098 -8.979 1.00 0.00 O ATOM 749 CB LEU A 50 78.788 43.364 -9.677 1.00 0.00 C ATOM 750 CG LEU A 50 79.916 43.600 -10.682 1.00 0.00 C ATOM 751 CD1 LEU A 50 79.363 43.672 -12.097 1.00 0.00 C ATOM 752 CD2 LEU A 50 80.678 44.872 -10.340 1.00 0.00 C ATOM 0 H LEU A 50 76.410 42.962 -9.175 1.00 0.00 H new ATOM 0 HA LEU A 50 78.314 41.503 -10.643 1.00 0.00 H new ATOM 0 HB2 LEU A 50 77.990 44.077 -9.883 1.00 0.00 H new ATOM 0 HB3 LEU A 50 79.165 43.587 -8.679 1.00 0.00 H new ATOM 0 HG LEU A 50 80.608 42.760 -10.626 1.00 0.00 H new ATOM 0 HD11 LEU A 50 80.180 43.840 -12.799 1.00 0.00 H new ATOM 0 HD12 LEU A 50 78.863 42.735 -12.340 1.00 0.00 H new ATOM 0 HD13 LEU A 50 78.649 44.493 -12.167 1.00 0.00 H new ATOM 0 HD21 LEU A 50 81.477 45.024 -11.066 1.00 0.00 H new ATOM 0 HD22 LEU A 50 79.997 45.723 -10.367 1.00 0.00 H new ATOM 0 HD23 LEU A 50 81.107 44.782 -9.342 1.00 0.00 H new ATOM 764 N GLU A 51 78.806 41.484 -7.365 1.00 0.00 N ATOM 765 CA GLU A 51 79.449 40.744 -6.285 1.00 0.00 C ATOM 766 C GLU A 51 79.044 39.273 -6.317 1.00 0.00 C ATOM 767 O GLU A 51 79.858 38.388 -6.054 1.00 0.00 O ATOM 768 CB GLU A 51 79.085 41.355 -4.931 1.00 0.00 C ATOM 769 CG GLU A 51 79.870 42.614 -4.600 1.00 0.00 C ATOM 770 CD GLU A 51 80.034 42.824 -3.107 1.00 0.00 C ATOM 771 OE1 GLU A 51 80.962 42.227 -2.523 1.00 0.00 O ATOM 772 OE2 GLU A 51 79.234 43.585 -2.524 1.00 0.00 O ATOM 0 H GLU A 51 78.285 42.306 -7.061 1.00 0.00 H new ATOM 0 HA GLU A 51 80.528 40.809 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 51 78.020 41.588 -4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.256 40.614 -4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 51 80.854 42.557 -5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 51 79.363 43.477 -5.031 1.00 0.00 H new ATOM 779 N TRP A 52 77.780 39.021 -6.640 1.00 0.00 N ATOM 780 CA TRP A 52 77.266 37.658 -6.705 1.00 0.00 C ATOM 781 C TRP A 52 77.880 36.900 -7.877 1.00 0.00 C ATOM 782 O TRP A 52 78.321 35.761 -7.729 1.00 0.00 O ATOM 783 CB TRP A 52 75.742 37.671 -6.834 1.00 0.00 C ATOM 784 CG TRP A 52 75.146 36.305 -6.986 1.00 0.00 C ATOM 785 CD1 TRP A 52 74.692 35.492 -5.987 1.00 0.00 C ATOM 786 CD2 TRP A 52 74.943 35.590 -8.210 1.00 0.00 C ATOM 787 NE1 TRP A 52 74.218 34.316 -6.516 1.00 0.00 N ATOM 788 CE2 TRP A 52 74.360 34.352 -7.878 1.00 0.00 C ATOM 789 CE3 TRP A 52 75.194 35.877 -9.555 1.00 0.00 C ATOM 790 CZ2 TRP A 52 74.027 33.404 -8.842 1.00 0.00 C ATOM 791 CZ3 TRP A 52 74.863 34.935 -10.510 1.00 0.00 C ATOM 792 CH2 TRP A 52 74.284 33.711 -10.150 1.00 0.00 C ATOM 0 H TRP A 52 77.093 39.742 -6.861 1.00 0.00 H new ATOM 0 HA TRP A 52 77.542 37.148 -5.782 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.314 38.150 -5.953 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.463 38.279 -7.695 1.00 0.00 H new ATOM 0 HD1 TRP A 52 74.704 35.738 -4.935 1.00 0.00 H new ATOM 0 HE1 TRP A 52 73.824 33.542 -5.981 1.00 0.00 H new ATOM 0 HE3 TRP A 52 75.639 36.818 -9.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 73.581 32.459 -8.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 75.054 35.146 -11.552 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.036 32.996 -10.920 1.00 0.00 H new ATOM 803 N ALA A 53 77.905 37.539 -9.042 1.00 0.00 N ATOM 804 CA ALA A 53 78.468 36.926 -10.238 1.00 0.00 C ATOM 805 C ALA A 53 79.940 36.581 -10.038 1.00 0.00 C ATOM 806 O ALA A 53 80.355 35.441 -10.252 1.00 0.00 O ATOM 807 CB ALA A 53 78.298 37.850 -11.435 1.00 0.00 C ATOM 0 H ALA A 53 77.542 38.482 -9.183 1.00 0.00 H new ATOM 0 HA ALA A 53 77.928 35.999 -10.429 1.00 0.00 H new ATOM 0 HB1 ALA A 53 78.723 37.379 -12.321 1.00 0.00 H new ATOM 0 HB2 ALA A 53 77.238 38.041 -11.599 1.00 0.00 H new ATOM 0 HB3 ALA A 53 78.811 38.792 -11.243 1.00 0.00 H new ATOM 813 N ILE A 54 80.724 37.572 -9.628 1.00 0.00 N ATOM 814 CA ILE A 54 82.150 37.373 -9.400 1.00 0.00 C ATOM 815 C ILE A 54 82.395 36.238 -8.411 1.00 0.00 C ATOM 816 O ILE A 54 83.445 35.596 -8.433 1.00 0.00 O ATOM 817 CB ILE A 54 82.820 38.654 -8.869 1.00 0.00 C ATOM 818 CG1 ILE A 54 82.609 39.809 -9.849 1.00 0.00 C ATOM 819 CG2 ILE A 54 84.304 38.417 -8.632 1.00 0.00 C ATOM 820 CD1 ILE A 54 82.977 41.161 -9.278 1.00 0.00 C ATOM 0 H ILE A 54 80.396 38.521 -9.447 1.00 0.00 H new ATOM 0 HA ILE A 54 82.590 37.115 -10.363 1.00 0.00 H new ATOM 0 HB ILE A 54 82.359 38.920 -7.918 1.00 0.00 H new ATOM 0 HG12 ILE A 54 83.203 39.628 -10.745 1.00 0.00 H new ATOM 0 HG13 ILE A 54 81.564 39.826 -10.158 1.00 0.00 H new ATOM 0 HG21 ILE A 54 84.763 39.332 -8.257 1.00 0.00 H new ATOM 0 HG22 ILE A 54 84.433 37.620 -7.900 1.00 0.00 H new ATOM 0 HG23 ILE A 54 84.781 38.130 -9.569 1.00 0.00 H new ATOM 0 HD11 ILE A 54 82.802 41.933 -10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 54 82.365 41.364 -8.399 1.00 0.00 H new ATOM 0 HD13 ILE A 54 84.030 41.162 -8.995 1.00 0.00 H new ATOM 832 N LYS A 55 81.416 35.993 -7.546 1.00 0.00 N ATOM 833 CA LYS A 55 81.522 34.933 -6.550 1.00 0.00 C ATOM 834 C LYS A 55 81.161 33.580 -7.155 1.00 0.00 C ATOM 835 O LYS A 55 81.987 32.670 -7.199 1.00 0.00 O ATOM 836 CB LYS A 55 80.609 35.231 -5.358 1.00 0.00 C ATOM 837 CG LYS A 55 81.357 35.404 -4.048 1.00 0.00 C ATOM 838 CD LYS A 55 81.507 34.082 -3.314 1.00 0.00 C ATOM 839 CE LYS A 55 82.907 33.509 -3.478 1.00 0.00 C ATOM 840 NZ LYS A 55 83.942 34.390 -2.871 1.00 0.00 N ATOM 0 H LYS A 55 80.540 36.514 -7.515 1.00 0.00 H new ATOM 0 HA LYS A 55 82.556 34.894 -6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 55 80.040 36.138 -5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 55 79.889 34.420 -5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 55 82.342 35.827 -4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 55 80.825 36.115 -3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 55 81.294 34.226 -2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 55 80.774 33.369 -3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 55 82.952 32.523 -3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.122 33.373 -4.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 84.762 33.817 -2.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 84.241 35.103 -3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 83.546 34.866 -2.035 1.00 0.00 H new ATOM 854 N GLU A 56 79.922 33.458 -7.621 1.00 0.00 N ATOM 855 CA GLU A 56 79.453 32.216 -8.224 1.00 0.00 C ATOM 856 C GLU A 56 80.350 31.803 -9.388 1.00 0.00 C ATOM 857 O GLU A 56 80.985 30.749 -9.353 1.00 0.00 O ATOM 858 CB GLU A 56 78.010 32.371 -8.708 1.00 0.00 C ATOM 859 CG GLU A 56 77.215 31.076 -8.679 1.00 0.00 C ATOM 860 CD GLU A 56 76.936 30.594 -7.269 1.00 0.00 C ATOM 861 OE1 GLU A 56 77.003 31.422 -6.336 1.00 0.00 O ATOM 862 OE2 GLU A 56 76.650 29.391 -7.098 1.00 0.00 O ATOM 0 H GLU A 56 79.226 34.203 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 56 79.492 31.436 -7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 56 77.505 33.111 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 56 78.017 32.760 -9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 56 76.270 31.222 -9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 56 77.763 30.305 -9.221 1.00 0.00 H new ATOM 869 N TYR A 57 80.396 32.642 -10.417 1.00 0.00 N ATOM 870 CA TYR A 57 81.211 32.364 -11.593 1.00 0.00 C ATOM 871 C TYR A 57 82.690 32.284 -11.224 1.00 0.00 C ATOM 872 O TYR A 57 83.474 31.616 -11.898 1.00 0.00 O ATOM 873 CB TYR A 57 80.997 33.444 -12.655 1.00 0.00 C ATOM 874 CG TYR A 57 79.651 33.362 -13.339 1.00 0.00 C ATOM 875 CD1 TYR A 57 78.512 33.884 -12.739 1.00 0.00 C ATOM 876 CD2 TYR A 57 79.519 32.763 -14.586 1.00 0.00 C ATOM 877 CE1 TYR A 57 77.280 33.811 -13.360 1.00 0.00 C ATOM 878 CE2 TYR A 57 78.291 32.687 -15.215 1.00 0.00 C ATOM 879 CZ TYR A 57 77.175 33.211 -14.598 1.00 0.00 C ATOM 880 OH TYR A 57 75.950 33.138 -15.220 1.00 0.00 O ATOM 0 H TYR A 57 79.878 33.520 -10.460 1.00 0.00 H new ATOM 0 HA TYR A 57 80.903 31.400 -11.998 1.00 0.00 H new ATOM 0 HB2 TYR A 57 81.100 34.424 -12.190 1.00 0.00 H new ATOM 0 HB3 TYR A 57 81.783 33.364 -13.406 1.00 0.00 H new ATOM 0 HD1 TYR A 57 78.591 34.355 -11.770 1.00 0.00 H new ATOM 0 HD2 TYR A 57 80.391 32.350 -15.072 1.00 0.00 H new ATOM 0 HE1 TYR A 57 76.404 34.221 -12.879 1.00 0.00 H new ATOM 0 HE2 TYR A 57 78.206 32.220 -16.185 1.00 0.00 H new ATOM 0 HH TYR A 57 76.048 32.687 -16.084 1.00 0.00 H new ATOM 890 N SER A 58 83.062 32.971 -10.149 1.00 0.00 N ATOM 891 CA SER A 58 84.447 32.982 -9.690 1.00 0.00 C ATOM 892 C SER A 58 85.361 33.607 -10.739 1.00 0.00 C ATOM 893 O SER A 58 86.325 32.987 -11.189 1.00 0.00 O ATOM 894 CB SER A 58 84.912 31.559 -9.375 1.00 0.00 C ATOM 895 OG SER A 58 86.053 31.570 -8.534 1.00 0.00 O ATOM 0 H SER A 58 82.424 33.527 -9.579 1.00 0.00 H new ATOM 0 HA SER A 58 84.499 33.584 -8.783 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.105 31.008 -8.892 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.145 31.035 -10.302 1.00 0.00 H new ATOM 0 HG SER A 58 86.330 30.649 -8.346 1.00 0.00 H new ATOM 901 N LEU A 59 85.052 34.841 -11.123 1.00 0.00 N ATOM 902 CA LEU A 59 85.846 35.553 -12.119 1.00 0.00 C ATOM 903 C LEU A 59 87.128 36.102 -11.503 1.00 0.00 C ATOM 904 O LEU A 59 87.412 35.871 -10.328 1.00 0.00 O ATOM 905 CB LEU A 59 85.030 36.695 -12.729 1.00 0.00 C ATOM 906 CG LEU A 59 83.619 36.336 -13.196 1.00 0.00 C ATOM 907 CD1 LEU A 59 82.761 37.587 -13.313 1.00 0.00 C ATOM 908 CD2 LEU A 59 83.669 35.597 -14.525 1.00 0.00 C ATOM 0 H LEU A 59 84.258 35.369 -10.760 1.00 0.00 H new ATOM 0 HA LEU A 59 86.116 34.847 -12.904 1.00 0.00 H new ATOM 0 HB2 LEU A 59 84.955 37.495 -11.993 1.00 0.00 H new ATOM 0 HB3 LEU A 59 85.582 37.095 -13.579 1.00 0.00 H new ATOM 0 HG LEU A 59 83.168 35.678 -12.453 1.00 0.00 H new ATOM 0 HD11 LEU A 59 81.760 37.312 -13.647 1.00 0.00 H new ATOM 0 HD12 LEU A 59 82.698 38.077 -12.341 1.00 0.00 H new ATOM 0 HD13 LEU A 59 83.209 38.269 -14.035 1.00 0.00 H new ATOM 0 HD21 LEU A 59 82.656 35.349 -14.842 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.140 36.231 -15.276 1.00 0.00 H new ATOM 0 HD23 LEU A 59 84.247 34.680 -14.410 1.00 0.00 H new ATOM 920 N MET A 60 87.898 36.831 -12.304 1.00 0.00 N ATOM 921 CA MET A 60 89.149 37.416 -11.835 1.00 0.00 C ATOM 922 C MET A 60 89.518 38.644 -12.661 1.00 0.00 C ATOM 923 O MET A 60 89.346 38.658 -13.879 1.00 0.00 O ATOM 924 CB MET A 60 90.277 36.384 -11.903 1.00 0.00 C ATOM 925 CG MET A 60 90.390 35.696 -13.254 1.00 0.00 C ATOM 926 SD MET A 60 92.063 35.748 -13.923 1.00 0.00 S ATOM 927 CE MET A 60 92.335 34.017 -14.293 1.00 0.00 C ATOM 0 H MET A 60 87.678 37.031 -13.280 1.00 0.00 H new ATOM 0 HA MET A 60 89.011 37.725 -10.799 1.00 0.00 H new ATOM 0 HB2 MET A 60 91.223 36.876 -11.675 1.00 0.00 H new ATOM 0 HB3 MET A 60 90.116 35.630 -11.133 1.00 0.00 H new ATOM 0 HG2 MET A 60 90.074 34.657 -13.156 1.00 0.00 H new ATOM 0 HG3 MET A 60 89.707 36.172 -13.958 1.00 0.00 H new ATOM 0 HE1 MET A 60 93.331 33.887 -14.716 1.00 0.00 H new ATOM 0 HE2 MET A 60 92.250 33.432 -13.377 1.00 0.00 H new ATOM 0 HE3 MET A 60 91.589 33.677 -15.012 1.00 0.00 H new ATOM 937 N GLU A 61 90.026 39.673 -11.990 1.00 0.00 N ATOM 938 CA GLU A 61 90.417 40.906 -12.663 1.00 0.00 C ATOM 939 C GLU A 61 89.222 41.545 -13.365 1.00 0.00 C ATOM 940 O GLU A 61 89.028 41.367 -14.568 1.00 0.00 O ATOM 941 CB GLU A 61 91.530 40.629 -13.676 1.00 0.00 C ATOM 942 CG GLU A 61 92.659 39.778 -13.122 1.00 0.00 C ATOM 943 CD GLU A 61 93.840 39.687 -14.069 1.00 0.00 C ATOM 944 OE1 GLU A 61 93.756 40.252 -15.179 1.00 0.00 O ATOM 945 OE2 GLU A 61 94.849 39.049 -13.699 1.00 0.00 O ATOM 0 H GLU A 61 90.176 39.677 -10.981 1.00 0.00 H new ATOM 0 HA GLU A 61 90.787 41.600 -11.909 1.00 0.00 H new ATOM 0 HB2 GLU A 61 91.102 40.129 -14.545 1.00 0.00 H new ATOM 0 HB3 GLU A 61 91.938 41.578 -14.023 1.00 0.00 H new ATOM 0 HG2 GLU A 61 92.991 40.196 -12.172 1.00 0.00 H new ATOM 0 HG3 GLU A 61 92.285 38.775 -12.916 1.00 0.00 H new ATOM 952 N ILE A 62 88.426 42.289 -12.605 1.00 0.00 N ATOM 953 CA ILE A 62 87.251 42.955 -13.154 1.00 0.00 C ATOM 954 C ILE A 62 87.028 44.311 -12.493 1.00 0.00 C ATOM 955 O ILE A 62 87.195 44.457 -11.282 1.00 0.00 O ATOM 956 CB ILE A 62 85.984 42.097 -12.979 1.00 0.00 C ATOM 957 CG1 ILE A 62 84.810 42.721 -13.736 1.00 0.00 C ATOM 958 CG2 ILE A 62 85.649 41.944 -11.503 1.00 0.00 C ATOM 959 CD1 ILE A 62 83.672 41.757 -13.987 1.00 0.00 C ATOM 0 H ILE A 62 88.573 42.446 -11.608 1.00 0.00 H new ATOM 0 HA ILE A 62 87.439 43.099 -14.218 1.00 0.00 H new ATOM 0 HB ILE A 62 86.173 41.107 -13.394 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.435 43.574 -13.170 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.167 43.105 -14.691 1.00 0.00 H new ATOM 0 HG21 ILE A 62 84.751 41.335 -11.395 1.00 0.00 H new ATOM 0 HG22 ILE A 62 86.480 41.460 -10.990 1.00 0.00 H new ATOM 0 HG23 ILE A 62 85.476 42.927 -11.065 1.00 0.00 H new ATOM 0 HD11 ILE A 62 82.875 42.268 -14.528 1.00 0.00 H new ATOM 0 HD12 ILE A 62 84.032 40.916 -14.580 1.00 0.00 H new ATOM 0 HD13 ILE A 62 83.288 41.392 -13.035 1.00 0.00 H new ATOM 971 N ASP A 63 86.649 45.299 -13.296 1.00 0.00 N ATOM 972 CA ASP A 63 86.400 46.644 -12.788 1.00 0.00 C ATOM 973 C ASP A 63 85.112 46.687 -11.972 1.00 0.00 C ATOM 974 O ASP A 63 84.082 46.155 -12.389 1.00 0.00 O ATOM 975 CB ASP A 63 86.320 47.641 -13.944 1.00 0.00 C ATOM 976 CG ASP A 63 86.533 49.072 -13.490 1.00 0.00 C ATOM 977 OD1 ASP A 63 85.815 49.515 -12.570 1.00 0.00 O ATOM 978 OD2 ASP A 63 87.417 49.749 -14.056 1.00 0.00 O ATOM 0 H ASP A 63 86.507 45.195 -14.301 1.00 0.00 H new ATOM 0 HA ASP A 63 87.230 46.920 -12.137 1.00 0.00 H new ATOM 0 HB2 ASP A 63 87.069 47.385 -14.693 1.00 0.00 H new ATOM 0 HB3 ASP A 63 85.346 47.557 -14.426 1.00 0.00 H new ATOM 983 N THR A 64 85.177 47.322 -10.806 1.00 0.00 N ATOM 984 CA THR A 64 84.017 47.432 -9.931 1.00 0.00 C ATOM 985 C THR A 64 83.550 48.879 -9.817 1.00 0.00 C ATOM 986 O THR A 64 82.370 49.143 -9.583 1.00 0.00 O ATOM 987 CB THR A 64 84.324 46.891 -8.521 1.00 0.00 C ATOM 988 OG1 THR A 64 85.737 46.901 -8.289 1.00 0.00 O ATOM 989 CG2 THR A 64 83.788 45.477 -8.356 1.00 0.00 C ATOM 0 H THR A 64 86.021 47.768 -10.446 1.00 0.00 H new ATOM 0 HA THR A 64 83.225 46.831 -10.378 1.00 0.00 H new ATOM 0 HB THR A 64 83.832 47.537 -7.793 1.00 0.00 H new ATOM 0 HG1 THR A 64 85.923 46.557 -7.390 1.00 0.00 H new ATOM 0 HG21 THR A 64 84.016 45.116 -7.353 1.00 0.00 H new ATOM 0 HG22 THR A 64 82.708 45.478 -8.504 1.00 0.00 H new ATOM 0 HG23 THR A 64 84.255 44.823 -9.092 1.00 0.00 H new ATOM 997 N SER A 65 84.481 49.812 -9.984 1.00 0.00 N ATOM 998 CA SER A 65 84.165 51.232 -9.897 1.00 0.00 C ATOM 999 C SER A 65 83.198 51.642 -11.003 1.00 0.00 C ATOM 1000 O SER A 65 82.354 52.518 -10.813 1.00 0.00 O ATOM 1001 CB SER A 65 85.443 52.068 -9.985 1.00 0.00 C ATOM 1002 OG SER A 65 86.555 51.355 -9.472 1.00 0.00 O ATOM 0 H SER A 65 85.461 49.610 -10.181 1.00 0.00 H new ATOM 0 HA SER A 65 83.687 51.414 -8.934 1.00 0.00 H new ATOM 0 HB2 SER A 65 85.631 52.343 -11.023 1.00 0.00 H new ATOM 0 HB3 SER A 65 85.313 52.996 -9.428 1.00 0.00 H new ATOM 0 HG SER A 65 87.360 51.910 -9.541 1.00 0.00 H new ATOM 1008 N PHE A 66 83.329 51.003 -12.161 1.00 0.00 N ATOM 1009 CA PHE A 66 82.468 51.301 -13.300 1.00 0.00 C ATOM 1010 C PHE A 66 81.007 51.013 -12.968 1.00 0.00 C ATOM 1011 O PHE A 66 80.101 51.673 -13.478 1.00 0.00 O ATOM 1012 CB PHE A 66 82.897 50.481 -14.518 1.00 0.00 C ATOM 1013 CG PHE A 66 82.808 51.238 -15.812 1.00 0.00 C ATOM 1014 CD1 PHE A 66 83.636 52.324 -16.053 1.00 0.00 C ATOM 1015 CD2 PHE A 66 81.899 50.865 -16.788 1.00 0.00 C ATOM 1016 CE1 PHE A 66 83.556 53.023 -17.242 1.00 0.00 C ATOM 1017 CE2 PHE A 66 81.814 51.560 -17.980 1.00 0.00 C ATOM 1018 CZ PHE A 66 82.645 52.640 -18.208 1.00 0.00 C ATOM 0 H PHE A 66 84.023 50.276 -12.335 1.00 0.00 H new ATOM 0 HA PHE A 66 82.567 52.362 -13.531 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.923 50.142 -14.375 1.00 0.00 H new ATOM 0 HB3 PHE A 66 82.273 49.590 -14.584 1.00 0.00 H new ATOM 0 HD1 PHE A 66 84.351 52.627 -15.303 1.00 0.00 H new ATOM 0 HD2 PHE A 66 81.248 50.020 -16.616 1.00 0.00 H new ATOM 0 HE1 PHE A 66 84.205 53.868 -17.416 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.099 51.259 -18.732 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.583 53.184 -19.139 1.00 0.00 H new ATOM 1028 N PHE A 67 80.785 50.023 -12.109 1.00 0.00 N ATOM 1029 CA PHE A 67 79.435 49.646 -11.709 1.00 0.00 C ATOM 1030 C PHE A 67 79.085 50.240 -10.348 1.00 0.00 C ATOM 1031 O PHE A 67 78.286 49.676 -9.600 1.00 0.00 O ATOM 1032 CB PHE A 67 79.300 48.123 -11.663 1.00 0.00 C ATOM 1033 CG PHE A 67 79.792 47.440 -12.908 1.00 0.00 C ATOM 1034 CD1 PHE A 67 78.997 47.381 -14.041 1.00 0.00 C ATOM 1035 CD2 PHE A 67 81.048 46.856 -12.944 1.00 0.00 C ATOM 1036 CE1 PHE A 67 79.446 46.754 -15.188 1.00 0.00 C ATOM 1037 CE2 PHE A 67 81.502 46.228 -14.088 1.00 0.00 C ATOM 1038 CZ PHE A 67 80.700 46.176 -15.211 1.00 0.00 C ATOM 0 H PHE A 67 81.523 49.468 -11.677 1.00 0.00 H new ATOM 0 HA PHE A 67 78.740 50.043 -12.449 1.00 0.00 H new ATOM 0 HB2 PHE A 67 79.855 47.743 -10.806 1.00 0.00 H new ATOM 0 HB3 PHE A 67 78.253 47.863 -11.505 1.00 0.00 H new ATOM 0 HD1 PHE A 67 78.015 47.830 -14.028 1.00 0.00 H new ATOM 0 HD2 PHE A 67 81.679 46.892 -12.068 1.00 0.00 H new ATOM 0 HE1 PHE A 67 78.817 46.716 -16.065 1.00 0.00 H new ATOM 0 HE2 PHE A 67 82.484 45.778 -14.104 1.00 0.00 H new ATOM 0 HZ PHE A 67 81.053 45.684 -16.106 1.00 0.00 H new ATOM 1048 N GLN A 68 79.690 51.381 -10.034 1.00 0.00 N ATOM 1049 CA GLN A 68 79.443 52.051 -8.762 1.00 0.00 C ATOM 1050 C GLN A 68 78.022 52.602 -8.703 1.00 0.00 C ATOM 1051 O GLN A 68 77.190 52.118 -7.937 1.00 0.00 O ATOM 1052 CB GLN A 68 80.451 53.183 -8.554 1.00 0.00 C ATOM 1053 CG GLN A 68 81.709 52.750 -7.819 1.00 0.00 C ATOM 1054 CD GLN A 68 81.768 53.281 -6.400 1.00 0.00 C ATOM 1055 OE1 GLN A 68 82.280 54.374 -6.155 1.00 0.00 O ATOM 1056 NE2 GLN A 68 81.243 52.509 -5.456 1.00 0.00 N ATOM 0 H GLN A 68 80.354 51.861 -10.642 1.00 0.00 H new ATOM 0 HA GLN A 68 79.561 51.317 -7.965 1.00 0.00 H new ATOM 0 HB2 GLN A 68 80.730 53.593 -9.525 1.00 0.00 H new ATOM 0 HB3 GLN A 68 79.972 53.987 -7.995 1.00 0.00 H new ATOM 0 HG2 GLN A 68 81.756 51.661 -7.798 1.00 0.00 H new ATOM 0 HG3 GLN A 68 82.584 53.096 -8.369 1.00 0.00 H new ATOM 0 HE21 GLN A 68 80.829 51.610 -5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 68 81.254 52.815 -4.483 1.00 0.00 H new ATOM 1065 N ASN A 69 77.752 53.617 -9.518 1.00 0.00 N ATOM 1066 CA ASN A 69 76.432 54.234 -9.558 1.00 0.00 C ATOM 1067 C ASN A 69 75.830 54.143 -10.957 1.00 0.00 C ATOM 1068 O ASN A 69 75.022 54.983 -11.352 1.00 0.00 O ATOM 1069 CB ASN A 69 76.517 55.698 -9.121 1.00 0.00 C ATOM 1070 CG ASN A 69 75.485 56.048 -8.066 1.00 0.00 C ATOM 1071 OD1 ASN A 69 74.377 56.480 -8.384 1.00 0.00 O ATOM 1072 ND2 ASN A 69 75.846 55.862 -6.802 1.00 0.00 N ATOM 0 H ASN A 69 78.430 54.029 -10.159 1.00 0.00 H new ATOM 0 HA ASN A 69 75.785 53.693 -8.868 1.00 0.00 H new ATOM 0 HB2 ASN A 69 77.514 55.900 -8.731 1.00 0.00 H new ATOM 0 HB3 ASN A 69 76.378 56.342 -9.989 1.00 0.00 H new ATOM 0 HD21 ASN A 69 75.194 56.079 -6.048 1.00 0.00 H new ATOM 0 HD22 ASN A 69 76.775 55.502 -6.585 1.00 0.00 H new ATOM 1079 N MET A 70 76.231 53.118 -11.702 1.00 0.00 N ATOM 1080 CA MET A 70 75.731 52.916 -13.056 1.00 0.00 C ATOM 1081 C MET A 70 74.227 52.661 -13.048 1.00 0.00 C ATOM 1082 O MET A 70 73.727 51.872 -12.247 1.00 0.00 O ATOM 1083 CB MET A 70 76.455 51.744 -13.722 1.00 0.00 C ATOM 1084 CG MET A 70 75.869 51.353 -15.068 1.00 0.00 C ATOM 1085 SD MET A 70 76.693 49.924 -15.796 1.00 0.00 S ATOM 1086 CE MET A 70 77.907 50.729 -16.839 1.00 0.00 C ATOM 0 H MET A 70 76.901 52.415 -11.390 1.00 0.00 H new ATOM 0 HA MET A 70 75.925 53.824 -13.626 1.00 0.00 H new ATOM 0 HB2 MET A 70 77.505 52.004 -13.854 1.00 0.00 H new ATOM 0 HB3 MET A 70 76.422 50.882 -13.056 1.00 0.00 H new ATOM 0 HG2 MET A 70 74.808 51.134 -14.948 1.00 0.00 H new ATOM 0 HG3 MET A 70 75.944 52.198 -15.752 1.00 0.00 H new ATOM 0 HE1 MET A 70 78.533 49.975 -17.317 1.00 0.00 H new ATOM 0 HE2 MET A 70 77.398 51.316 -17.603 1.00 0.00 H new ATOM 0 HE3 MET A 70 78.530 51.386 -16.232 1.00 0.00 H new ATOM 1096 N ASP A 71 73.512 53.333 -13.944 1.00 0.00 N ATOM 1097 CA ASP A 71 72.066 53.178 -14.040 1.00 0.00 C ATOM 1098 C ASP A 71 71.699 51.769 -14.496 1.00 0.00 C ATOM 1099 O ASP A 71 72.328 51.214 -15.395 1.00 0.00 O ATOM 1100 CB ASP A 71 71.484 54.209 -15.009 1.00 0.00 C ATOM 1101 CG ASP A 71 72.129 55.573 -14.859 1.00 0.00 C ATOM 1102 OD1 ASP A 71 72.251 56.049 -13.711 1.00 0.00 O ATOM 1103 OD2 ASP A 71 72.512 56.163 -15.890 1.00 0.00 O ATOM 0 H ASP A 71 73.911 53.990 -14.614 1.00 0.00 H new ATOM 0 HA ASP A 71 71.642 53.342 -13.049 1.00 0.00 H new ATOM 0 HB2 ASP A 71 71.618 53.858 -16.032 1.00 0.00 H new ATOM 0 HB3 ASP A 71 70.411 54.297 -14.840 1.00 0.00 H new ATOM 1108 N GLY A 72 70.677 51.196 -13.867 1.00 0.00 N ATOM 1109 CA GLY A 72 70.245 49.857 -14.221 1.00 0.00 C ATOM 1110 C GLY A 72 69.987 49.705 -15.707 1.00 0.00 C ATOM 1111 O GLY A 72 70.393 48.716 -16.318 1.00 0.00 O ATOM 0 H GLY A 72 70.141 51.635 -13.119 1.00 0.00 H new ATOM 0 HA2 GLY A 72 71.005 49.140 -13.912 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.336 49.615 -13.671 1.00 0.00 H new ATOM 1115 N LYS A 73 69.308 50.686 -16.292 1.00 0.00 N ATOM 1116 CA LYS A 73 68.995 50.658 -17.716 1.00 0.00 C ATOM 1117 C LYS A 73 70.269 50.710 -18.554 1.00 0.00 C ATOM 1118 O LYS A 73 70.325 50.148 -19.647 1.00 0.00 O ATOM 1119 CB LYS A 73 68.083 51.832 -18.081 1.00 0.00 C ATOM 1120 CG LYS A 73 66.609 51.470 -18.110 1.00 0.00 C ATOM 1121 CD LYS A 73 65.759 52.630 -18.603 1.00 0.00 C ATOM 1122 CE LYS A 73 65.698 52.669 -20.122 1.00 0.00 C ATOM 1123 NZ LYS A 73 64.403 52.148 -20.639 1.00 0.00 N ATOM 0 H LYS A 73 68.964 51.511 -15.801 1.00 0.00 H new ATOM 0 HA LYS A 73 68.478 49.723 -17.931 1.00 0.00 H new ATOM 0 HB2 LYS A 73 68.237 52.638 -17.363 1.00 0.00 H new ATOM 0 HB3 LYS A 73 68.373 52.217 -19.059 1.00 0.00 H new ATOM 0 HG2 LYS A 73 66.458 50.606 -18.758 1.00 0.00 H new ATOM 0 HG3 LYS A 73 66.285 51.179 -17.111 1.00 0.00 H new ATOM 0 HD2 LYS A 73 64.750 52.541 -18.199 1.00 0.00 H new ATOM 0 HD3 LYS A 73 66.170 53.568 -18.230 1.00 0.00 H new ATOM 0 HE2 LYS A 73 65.840 53.694 -20.465 1.00 0.00 H new ATOM 0 HE3 LYS A 73 66.517 52.079 -20.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 64.547 51.733 -21.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 64.039 51.420 -19.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 63.717 52.927 -20.705 1.00 0.00 H new ATOM 1137 N GLU A 74 71.288 51.386 -18.033 1.00 0.00 N ATOM 1138 CA GLU A 74 72.560 51.509 -18.735 1.00 0.00 C ATOM 1139 C GLU A 74 73.267 50.160 -18.821 1.00 0.00 C ATOM 1140 O GLU A 74 74.007 49.893 -19.769 1.00 0.00 O ATOM 1141 CB GLU A 74 73.461 52.525 -18.029 1.00 0.00 C ATOM 1142 CG GLU A 74 73.654 53.813 -18.810 1.00 0.00 C ATOM 1143 CD GLU A 74 74.751 54.687 -18.232 1.00 0.00 C ATOM 1144 OE1 GLU A 74 75.685 54.136 -17.612 1.00 0.00 O ATOM 1145 OE2 GLU A 74 74.675 55.922 -18.400 1.00 0.00 O ATOM 0 H GLU A 74 71.258 51.856 -17.128 1.00 0.00 H new ATOM 0 HA GLU A 74 72.355 51.857 -19.747 1.00 0.00 H new ATOM 0 HB2 GLU A 74 73.034 52.761 -17.055 1.00 0.00 H new ATOM 0 HB3 GLU A 74 74.435 52.070 -17.848 1.00 0.00 H new ATOM 0 HG2 GLU A 74 73.894 53.573 -19.846 1.00 0.00 H new ATOM 0 HG3 GLU A 74 72.718 54.371 -18.821 1.00 0.00 H new ATOM 1152 N LEU A 75 73.034 49.312 -17.825 1.00 0.00 N ATOM 1153 CA LEU A 75 73.648 47.989 -17.786 1.00 0.00 C ATOM 1154 C LEU A 75 73.373 47.224 -19.077 1.00 0.00 C ATOM 1155 O LEU A 75 74.300 46.782 -19.757 1.00 0.00 O ATOM 1156 CB LEU A 75 73.124 47.197 -16.588 1.00 0.00 C ATOM 1157 CG LEU A 75 74.184 46.595 -15.665 1.00 0.00 C ATOM 1158 CD1 LEU A 75 74.548 47.575 -14.560 1.00 0.00 C ATOM 1159 CD2 LEU A 75 73.694 45.281 -15.074 1.00 0.00 C ATOM 0 H LEU A 75 72.424 49.517 -17.033 1.00 0.00 H new ATOM 0 HA LEU A 75 74.726 48.118 -17.684 1.00 0.00 H new ATOM 0 HB2 LEU A 75 72.486 47.853 -15.996 1.00 0.00 H new ATOM 0 HB3 LEU A 75 72.494 46.389 -16.960 1.00 0.00 H new ATOM 0 HG LEU A 75 75.079 46.394 -16.254 1.00 0.00 H new ATOM 0 HD11 LEU A 75 75.304 47.129 -13.913 1.00 0.00 H new ATOM 0 HD12 LEU A 75 74.942 48.491 -15.001 1.00 0.00 H new ATOM 0 HD13 LEU A 75 73.660 47.808 -13.973 1.00 0.00 H new ATOM 0 HD21 LEU A 75 74.462 44.868 -14.420 1.00 0.00 H new ATOM 0 HD22 LEU A 75 72.784 45.457 -14.500 1.00 0.00 H new ATOM 0 HD23 LEU A 75 73.484 44.576 -15.878 1.00 0.00 H new ATOM 1171 N CYS A 76 72.096 47.073 -19.408 1.00 0.00 N ATOM 1172 CA CYS A 76 71.698 46.362 -20.618 1.00 0.00 C ATOM 1173 C CYS A 76 72.026 47.180 -21.862 1.00 0.00 C ATOM 1174 O CYS A 76 72.228 46.631 -22.945 1.00 0.00 O ATOM 1175 CB CYS A 76 70.203 46.045 -20.580 1.00 0.00 C ATOM 1176 SG CYS A 76 69.137 47.496 -20.744 1.00 0.00 S ATOM 0 H CYS A 76 71.318 47.433 -18.856 1.00 0.00 H new ATOM 0 HA CYS A 76 72.258 45.428 -20.662 1.00 0.00 H new ATOM 0 HB2 CYS A 76 69.971 45.344 -21.382 1.00 0.00 H new ATOM 0 HB3 CYS A 76 69.973 45.542 -19.641 1.00 0.00 H new ATOM 0 HG CYS A 76 69.741 48.536 -20.250 1.00 0.00 H new ATOM 1182 N LYS A 77 72.076 48.498 -21.700 1.00 0.00 N ATOM 1183 CA LYS A 77 72.379 49.395 -22.809 1.00 0.00 C ATOM 1184 C LYS A 77 73.800 49.172 -23.317 1.00 0.00 C ATOM 1185 O LYS A 77 74.067 49.285 -24.513 1.00 0.00 O ATOM 1186 CB LYS A 77 72.203 50.852 -22.377 1.00 0.00 C ATOM 1187 CG LYS A 77 71.359 51.674 -23.335 1.00 0.00 C ATOM 1188 CD LYS A 77 71.795 53.129 -23.355 1.00 0.00 C ATOM 1189 CE LYS A 77 72.590 53.456 -24.609 1.00 0.00 C ATOM 1190 NZ LYS A 77 71.704 53.821 -25.749 1.00 0.00 N ATOM 0 H LYS A 77 71.910 48.969 -20.811 1.00 0.00 H new ATOM 0 HA LYS A 77 71.684 49.177 -23.620 1.00 0.00 H new ATOM 0 HB2 LYS A 77 71.743 50.876 -21.389 1.00 0.00 H new ATOM 0 HB3 LYS A 77 73.185 51.315 -22.283 1.00 0.00 H new ATOM 0 HG2 LYS A 77 71.436 51.256 -24.339 1.00 0.00 H new ATOM 0 HG3 LYS A 77 70.311 51.611 -23.043 1.00 0.00 H new ATOM 0 HD2 LYS A 77 70.918 53.773 -23.301 1.00 0.00 H new ATOM 0 HD3 LYS A 77 72.401 53.340 -22.474 1.00 0.00 H new ATOM 0 HE2 LYS A 77 73.273 54.280 -24.401 1.00 0.00 H new ATOM 0 HE3 LYS A 77 73.202 52.597 -24.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 72.284 54.037 -26.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 71.070 53.025 -25.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 71.138 54.656 -25.495 1.00 0.00 H new ATOM 1204 N MET A 78 74.708 48.855 -22.400 1.00 0.00 N ATOM 1205 CA MET A 78 76.102 48.613 -22.756 1.00 0.00 C ATOM 1206 C MET A 78 76.225 47.405 -23.679 1.00 0.00 C ATOM 1207 O MET A 78 75.676 46.340 -23.399 1.00 0.00 O ATOM 1208 CB MET A 78 76.942 48.396 -21.497 1.00 0.00 C ATOM 1209 CG MET A 78 76.884 49.559 -20.520 1.00 0.00 C ATOM 1210 SD MET A 78 78.479 50.377 -20.318 1.00 0.00 S ATOM 1211 CE MET A 78 79.507 48.996 -19.823 1.00 0.00 C ATOM 0 H MET A 78 74.504 48.760 -21.405 1.00 0.00 H new ATOM 0 HA MET A 78 76.474 49.491 -23.284 1.00 0.00 H new ATOM 0 HB2 MET A 78 76.600 47.492 -20.993 1.00 0.00 H new ATOM 0 HB3 MET A 78 77.979 48.227 -21.787 1.00 0.00 H new ATOM 0 HG2 MET A 78 76.149 50.285 -20.868 1.00 0.00 H new ATOM 0 HG3 MET A 78 76.540 49.198 -19.551 1.00 0.00 H new ATOM 0 HE1 MET A 78 80.403 49.369 -19.326 1.00 0.00 H new ATOM 0 HE2 MET A 78 78.952 48.356 -19.137 1.00 0.00 H new ATOM 0 HE3 MET A 78 79.793 48.421 -20.704 1.00 0.00 H new ATOM 1221 N ASN A 79 76.950 47.578 -24.780 1.00 0.00 N ATOM 1222 CA ASN A 79 77.144 46.501 -25.744 1.00 0.00 C ATOM 1223 C ASN A 79 78.463 45.776 -25.491 1.00 0.00 C ATOM 1224 O ASN A 79 79.180 46.082 -24.538 1.00 0.00 O ATOM 1225 CB ASN A 79 77.119 47.055 -27.170 1.00 0.00 C ATOM 1226 CG ASN A 79 75.902 47.920 -27.433 1.00 0.00 C ATOM 1227 OD1 ASN A 79 76.021 49.053 -27.900 1.00 0.00 O ATOM 1228 ND2 ASN A 79 74.722 47.388 -27.133 1.00 0.00 N ATOM 0 H ASN A 79 77.412 48.453 -25.026 1.00 0.00 H new ATOM 0 HA ASN A 79 76.329 45.788 -25.624 1.00 0.00 H new ATOM 0 HB2 ASN A 79 78.022 47.640 -27.345 1.00 0.00 H new ATOM 0 HB3 ASN A 79 77.133 46.227 -27.879 1.00 0.00 H new ATOM 0 HD21 ASN A 79 73.867 47.923 -27.288 1.00 0.00 H new ATOM 0 HD22 ASN A 79 74.671 46.445 -26.748 1.00 0.00 H new ATOM 1235 N LYS A 80 78.776 44.813 -26.351 1.00 0.00 N ATOM 1236 CA LYS A 80 80.009 44.045 -26.224 1.00 0.00 C ATOM 1237 C LYS A 80 81.222 44.967 -26.172 1.00 0.00 C ATOM 1238 O LYS A 80 82.149 44.745 -25.393 1.00 0.00 O ATOM 1239 CB LYS A 80 80.148 43.067 -27.393 1.00 0.00 C ATOM 1240 CG LYS A 80 81.109 41.923 -27.119 1.00 0.00 C ATOM 1241 CD LYS A 80 80.382 40.591 -27.043 1.00 0.00 C ATOM 1242 CE LYS A 80 81.255 39.451 -27.544 1.00 0.00 C ATOM 1243 NZ LYS A 80 80.520 38.563 -28.487 1.00 0.00 N ATOM 0 H LYS A 80 78.193 44.546 -27.144 1.00 0.00 H new ATOM 0 HA LYS A 80 79.962 43.483 -25.291 1.00 0.00 H new ATOM 0 HB2 LYS A 80 79.167 42.657 -27.631 1.00 0.00 H new ATOM 0 HB3 LYS A 80 80.488 43.612 -28.274 1.00 0.00 H new ATOM 0 HG2 LYS A 80 81.862 41.883 -27.906 1.00 0.00 H new ATOM 0 HG3 LYS A 80 81.636 42.105 -26.182 1.00 0.00 H new ATOM 0 HD2 LYS A 80 80.083 40.396 -26.013 1.00 0.00 H new ATOM 0 HD3 LYS A 80 79.469 40.639 -27.636 1.00 0.00 H new ATOM 0 HE2 LYS A 80 82.135 39.859 -28.041 1.00 0.00 H new ATOM 0 HE3 LYS A 80 81.610 38.866 -26.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 80.494 37.596 -28.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 79.548 38.913 -28.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 81.003 38.558 -29.408 1.00 0.00 H new ATOM 1257 N GLU A 81 81.209 46.003 -27.005 1.00 0.00 N ATOM 1258 CA GLU A 81 82.309 46.960 -27.052 1.00 0.00 C ATOM 1259 C GLU A 81 82.344 47.811 -25.786 1.00 0.00 C ATOM 1260 O GLU A 81 83.415 48.149 -25.282 1.00 0.00 O ATOM 1261 CB GLU A 81 82.178 47.860 -28.282 1.00 0.00 C ATOM 1262 CG GLU A 81 81.935 47.097 -29.573 1.00 0.00 C ATOM 1263 CD GLU A 81 82.457 47.831 -30.792 1.00 0.00 C ATOM 1264 OE1 GLU A 81 83.667 48.138 -30.828 1.00 0.00 O ATOM 1265 OE2 GLU A 81 81.655 48.098 -31.712 1.00 0.00 O ATOM 0 H GLU A 81 80.449 46.201 -27.656 1.00 0.00 H new ATOM 0 HA GLU A 81 83.242 46.400 -27.118 1.00 0.00 H new ATOM 0 HB2 GLU A 81 81.357 48.560 -28.124 1.00 0.00 H new ATOM 0 HB3 GLU A 81 83.087 48.453 -28.386 1.00 0.00 H new ATOM 0 HG2 GLU A 81 82.414 46.120 -29.509 1.00 0.00 H new ATOM 0 HG3 GLU A 81 80.866 46.920 -29.690 1.00 0.00 H new ATOM 1272 N ASP A 82 81.166 48.154 -25.278 1.00 0.00 N ATOM 1273 CA ASP A 82 81.060 48.965 -24.070 1.00 0.00 C ATOM 1274 C ASP A 82 81.577 48.201 -22.855 1.00 0.00 C ATOM 1275 O ASP A 82 82.416 48.700 -22.106 1.00 0.00 O ATOM 1276 CB ASP A 82 79.609 49.391 -23.841 1.00 0.00 C ATOM 1277 CG ASP A 82 79.077 50.261 -24.963 1.00 0.00 C ATOM 1278 OD1 ASP A 82 78.641 49.703 -25.991 1.00 0.00 O ATOM 1279 OD2 ASP A 82 79.097 51.500 -24.812 1.00 0.00 O ATOM 0 H ASP A 82 80.270 47.883 -25.684 1.00 0.00 H new ATOM 0 HA ASP A 82 81.674 49.855 -24.205 1.00 0.00 H new ATOM 0 HB2 ASP A 82 78.984 48.503 -23.746 1.00 0.00 H new ATOM 0 HB3 ASP A 82 79.537 49.934 -22.899 1.00 0.00 H new ATOM 1284 N PHE A 83 81.070 46.987 -22.667 1.00 0.00 N ATOM 1285 CA PHE A 83 81.479 46.154 -21.541 1.00 0.00 C ATOM 1286 C PHE A 83 82.966 45.823 -21.622 1.00 0.00 C ATOM 1287 O PHE A 83 83.614 45.574 -20.605 1.00 0.00 O ATOM 1288 CB PHE A 83 80.658 44.863 -21.511 1.00 0.00 C ATOM 1289 CG PHE A 83 79.371 44.989 -20.747 1.00 0.00 C ATOM 1290 CD1 PHE A 83 79.380 45.256 -19.387 1.00 0.00 C ATOM 1291 CD2 PHE A 83 78.152 44.840 -21.388 1.00 0.00 C ATOM 1292 CE1 PHE A 83 78.197 45.373 -18.681 1.00 0.00 C ATOM 1293 CE2 PHE A 83 76.966 44.956 -20.688 1.00 0.00 C ATOM 1294 CZ PHE A 83 76.989 45.221 -19.333 1.00 0.00 C ATOM 0 H PHE A 83 80.376 46.558 -23.279 1.00 0.00 H new ATOM 0 HA PHE A 83 81.299 46.713 -20.623 1.00 0.00 H new ATOM 0 HB2 PHE A 83 80.436 44.559 -22.534 1.00 0.00 H new ATOM 0 HB3 PHE A 83 81.259 44.070 -21.066 1.00 0.00 H new ATOM 0 HD1 PHE A 83 80.322 45.374 -18.873 1.00 0.00 H new ATOM 0 HD2 PHE A 83 78.128 44.631 -22.447 1.00 0.00 H new ATOM 0 HE1 PHE A 83 78.218 45.583 -17.622 1.00 0.00 H new ATOM 0 HE2 PHE A 83 76.022 44.840 -21.200 1.00 0.00 H new ATOM 0 HZ PHE A 83 76.063 45.309 -18.784 1.00 0.00 H new ATOM 1304 N LEU A 84 83.501 45.822 -22.838 1.00 0.00 N ATOM 1305 CA LEU A 84 84.912 45.521 -23.053 1.00 0.00 C ATOM 1306 C LEU A 84 85.800 46.540 -22.346 1.00 0.00 C ATOM 1307 O LEU A 84 86.896 46.212 -21.891 1.00 0.00 O ATOM 1308 CB LEU A 84 85.228 45.505 -24.550 1.00 0.00 C ATOM 1309 CG LEU A 84 85.200 44.134 -25.227 1.00 0.00 C ATOM 1310 CD1 LEU A 84 85.139 44.286 -26.739 1.00 0.00 C ATOM 1311 CD2 LEU A 84 86.416 43.314 -24.820 1.00 0.00 C ATOM 0 H LEU A 84 82.979 46.026 -23.690 1.00 0.00 H new ATOM 0 HA LEU A 84 85.116 44.536 -22.634 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.515 46.154 -25.059 1.00 0.00 H new ATOM 0 HB3 LEU A 84 86.216 45.941 -24.697 1.00 0.00 H new ATOM 0 HG LEU A 84 84.304 43.606 -24.900 1.00 0.00 H new ATOM 0 HD11 LEU A 84 85.120 43.300 -27.203 1.00 0.00 H new ATOM 0 HD12 LEU A 84 84.238 44.834 -27.014 1.00 0.00 H new ATOM 0 HD13 LEU A 84 86.016 44.833 -27.085 1.00 0.00 H new ATOM 0 HD21 LEU A 84 86.380 42.341 -25.311 1.00 0.00 H new ATOM 0 HD22 LEU A 84 87.324 43.838 -25.118 1.00 0.00 H new ATOM 0 HD23 LEU A 84 86.416 43.175 -23.739 1.00 0.00 H new ATOM 1323 N ARG A 85 85.318 47.775 -22.255 1.00 0.00 N ATOM 1324 CA ARG A 85 86.068 48.841 -21.602 1.00 0.00 C ATOM 1325 C ARG A 85 86.098 48.638 -20.090 1.00 0.00 C ATOM 1326 O ARG A 85 87.016 49.094 -19.411 1.00 0.00 O ATOM 1327 CB ARG A 85 85.452 50.202 -21.932 1.00 0.00 C ATOM 1328 CG ARG A 85 85.136 50.386 -23.407 1.00 0.00 C ATOM 1329 CD ARG A 85 85.637 51.727 -23.922 1.00 0.00 C ATOM 1330 NE ARG A 85 87.090 51.838 -23.835 1.00 0.00 N ATOM 1331 CZ ARG A 85 87.794 52.781 -24.452 1.00 0.00 C ATOM 1332 NH1 ARG A 85 87.180 53.690 -25.197 1.00 0.00 N ATOM 1333 NH2 ARG A 85 89.114 52.816 -24.325 1.00 0.00 N ATOM 0 H ARG A 85 84.412 48.062 -22.625 1.00 0.00 H new ATOM 0 HA ARG A 85 87.092 48.812 -21.975 1.00 0.00 H new ATOM 0 HB2 ARG A 85 84.536 50.326 -21.355 1.00 0.00 H new ATOM 0 HB3 ARG A 85 86.138 50.988 -21.615 1.00 0.00 H new ATOM 0 HG2 ARG A 85 85.594 49.581 -23.981 1.00 0.00 H new ATOM 0 HG3 ARG A 85 84.059 50.315 -23.561 1.00 0.00 H new ATOM 0 HD2 ARG A 85 85.325 51.857 -24.958 1.00 0.00 H new ATOM 0 HD3 ARG A 85 85.177 52.531 -23.347 1.00 0.00 H new ATOM 0 HE ARG A 85 87.593 51.154 -23.269 1.00 0.00 H new ATOM 0 HH11 ARG A 85 86.165 53.666 -25.297 1.00 0.00 H new ATOM 0 HH12 ARG A 85 87.722 54.413 -25.670 1.00 0.00 H new ATOM 0 HH21 ARG A 85 89.590 52.118 -23.753 1.00 0.00 H new ATOM 0 HH22 ARG A 85 89.653 53.541 -24.799 1.00 0.00 H new ATOM 1347 N ALA A 86 85.086 47.950 -19.571 1.00 0.00 N ATOM 1348 CA ALA A 86 84.998 47.684 -18.141 1.00 0.00 C ATOM 1349 C ALA A 86 85.730 46.398 -17.774 1.00 0.00 C ATOM 1350 O ALA A 86 86.433 46.336 -16.764 1.00 0.00 O ATOM 1351 CB ALA A 86 83.541 47.606 -17.708 1.00 0.00 C ATOM 0 H ALA A 86 84.316 47.567 -20.120 1.00 0.00 H new ATOM 0 HA ALA A 86 85.480 48.507 -17.614 1.00 0.00 H new ATOM 0 HB1 ALA A 86 83.490 47.407 -16.638 1.00 0.00 H new ATOM 0 HB2 ALA A 86 83.046 48.552 -17.925 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.043 46.803 -18.251 1.00 0.00 H new ATOM 1357 N THR A 87 85.562 45.370 -18.601 1.00 0.00 N ATOM 1358 CA THR A 87 86.206 44.085 -18.363 1.00 0.00 C ATOM 1359 C THR A 87 86.633 43.433 -19.673 1.00 0.00 C ATOM 1360 O THR A 87 86.323 43.930 -20.757 1.00 0.00 O ATOM 1361 CB THR A 87 85.274 43.122 -17.604 1.00 0.00 C ATOM 1362 OG1 THR A 87 86.000 41.956 -17.198 1.00 0.00 O ATOM 1363 CG2 THR A 87 84.093 42.714 -18.472 1.00 0.00 C ATOM 0 H THR A 87 84.985 45.403 -19.441 1.00 0.00 H new ATOM 0 HA THR A 87 87.088 44.282 -17.754 1.00 0.00 H new ATOM 0 HB THR A 87 84.894 43.639 -16.722 1.00 0.00 H new ATOM 0 HG1 THR A 87 85.614 41.602 -16.369 1.00 0.00 H new ATOM 0 HG21 THR A 87 83.449 42.034 -17.914 1.00 0.00 H new ATOM 0 HG22 THR A 87 83.526 43.601 -18.755 1.00 0.00 H new ATOM 0 HG23 THR A 87 84.457 42.215 -19.370 1.00 0.00 H new ATOM 1371 N THR A 88 87.347 42.316 -19.568 1.00 0.00 N ATOM 1372 CA THR A 88 87.817 41.596 -20.745 1.00 0.00 C ATOM 1373 C THR A 88 86.658 40.938 -21.486 1.00 0.00 C ATOM 1374 O THR A 88 85.538 40.877 -20.979 1.00 0.00 O ATOM 1375 CB THR A 88 88.849 40.516 -20.368 1.00 0.00 C ATOM 1376 OG1 THR A 88 88.352 39.720 -19.287 1.00 0.00 O ATOM 1377 CG2 THR A 88 90.174 41.150 -19.971 1.00 0.00 C ATOM 0 H THR A 88 87.612 41.891 -18.680 1.00 0.00 H new ATOM 0 HA THR A 88 88.291 42.330 -21.396 1.00 0.00 H new ATOM 0 HB THR A 88 89.014 39.882 -21.239 1.00 0.00 H new ATOM 0 HG1 THR A 88 89.013 39.035 -19.054 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.887 40.369 -19.709 1.00 0.00 H new ATOM 0 HG22 THR A 88 90.564 41.732 -20.806 1.00 0.00 H new ATOM 0 HG23 THR A 88 90.021 41.805 -19.113 1.00 0.00 H new ATOM 1385 N LEU A 89 86.935 40.447 -22.689 1.00 0.00 N ATOM 1386 CA LEU A 89 85.915 39.792 -23.501 1.00 0.00 C ATOM 1387 C LEU A 89 85.396 38.533 -22.813 1.00 0.00 C ATOM 1388 O LEU A 89 84.202 38.237 -22.857 1.00 0.00 O ATOM 1389 CB LEU A 89 86.480 39.438 -24.878 1.00 0.00 C ATOM 1390 CG LEU A 89 85.482 39.448 -26.036 1.00 0.00 C ATOM 1391 CD1 LEU A 89 84.315 38.517 -25.743 1.00 0.00 C ATOM 1392 CD2 LEU A 89 84.985 40.862 -26.300 1.00 0.00 C ATOM 0 H LEU A 89 87.857 40.490 -23.124 1.00 0.00 H new ATOM 0 HA LEU A 89 85.083 40.486 -23.624 1.00 0.00 H new ATOM 0 HB2 LEU A 89 87.282 40.138 -25.110 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.929 38.446 -24.820 1.00 0.00 H new ATOM 0 HG LEU A 89 85.990 39.090 -26.931 1.00 0.00 H new ATOM 0 HD11 LEU A 89 83.615 38.537 -26.578 1.00 0.00 H new ATOM 0 HD12 LEU A 89 84.686 37.501 -25.605 1.00 0.00 H new ATOM 0 HD13 LEU A 89 83.807 38.845 -24.836 1.00 0.00 H new ATOM 0 HD21 LEU A 89 84.276 40.850 -27.127 1.00 0.00 H new ATOM 0 HD22 LEU A 89 84.494 41.248 -25.407 1.00 0.00 H new ATOM 0 HD23 LEU A 89 85.829 41.503 -26.555 1.00 0.00 H new ATOM 1404 N TYR A 90 86.301 37.798 -22.177 1.00 0.00 N ATOM 1405 CA TYR A 90 85.935 36.571 -21.479 1.00 0.00 C ATOM 1406 C TYR A 90 84.881 36.845 -20.411 1.00 0.00 C ATOM 1407 O TYR A 90 84.029 36.001 -20.134 1.00 0.00 O ATOM 1408 CB TYR A 90 87.171 35.935 -20.840 1.00 0.00 C ATOM 1409 CG TYR A 90 86.871 34.667 -20.072 1.00 0.00 C ATOM 1410 CD1 TYR A 90 86.417 34.718 -18.760 1.00 0.00 C ATOM 1411 CD2 TYR A 90 87.043 33.419 -20.658 1.00 0.00 C ATOM 1412 CE1 TYR A 90 86.142 33.562 -18.054 1.00 0.00 C ATOM 1413 CE2 TYR A 90 86.770 32.259 -19.961 1.00 0.00 C ATOM 1414 CZ TYR A 90 86.320 32.336 -18.659 1.00 0.00 C ATOM 1415 OH TYR A 90 86.047 31.182 -17.960 1.00 0.00 O ATOM 0 H TYR A 90 87.293 38.030 -22.130 1.00 0.00 H new ATOM 0 HA TYR A 90 85.515 35.879 -22.209 1.00 0.00 H new ATOM 0 HB2 TYR A 90 87.900 35.714 -21.620 1.00 0.00 H new ATOM 0 HB3 TYR A 90 87.634 36.657 -20.167 1.00 0.00 H new ATOM 0 HD1 TYR A 90 86.277 35.677 -18.284 1.00 0.00 H new ATOM 0 HD2 TYR A 90 87.396 33.355 -21.677 1.00 0.00 H new ATOM 0 HE1 TYR A 90 85.790 33.619 -17.035 1.00 0.00 H new ATOM 0 HE2 TYR A 90 86.908 31.297 -20.432 1.00 0.00 H new ATOM 0 HH TYR A 90 86.223 30.405 -18.530 1.00 0.00 H new ATOM 1425 N ASN A 91 84.945 38.031 -19.816 1.00 0.00 N ATOM 1426 CA ASN A 91 83.996 38.418 -18.779 1.00 0.00 C ATOM 1427 C ASN A 91 82.748 39.049 -19.390 1.00 0.00 C ATOM 1428 O ASN A 91 81.628 38.792 -18.948 1.00 0.00 O ATOM 1429 CB ASN A 91 84.648 39.397 -17.801 1.00 0.00 C ATOM 1430 CG ASN A 91 85.368 38.690 -16.669 1.00 0.00 C ATOM 1431 OD1 ASN A 91 84.792 37.845 -15.984 1.00 0.00 O ATOM 1432 ND2 ASN A 91 86.635 39.033 -16.468 1.00 0.00 N ATOM 0 H ASN A 91 85.644 38.741 -20.034 1.00 0.00 H new ATOM 0 HA ASN A 91 83.700 37.518 -18.240 1.00 0.00 H new ATOM 0 HB2 ASN A 91 85.355 40.028 -18.340 1.00 0.00 H new ATOM 0 HB3 ASN A 91 83.884 40.056 -17.387 1.00 0.00 H new ATOM 0 HD21 ASN A 91 87.171 38.591 -15.721 1.00 0.00 H new ATOM 0 HD22 ASN A 91 87.072 39.739 -17.060 1.00 0.00 H new ATOM 1439 N THR A 92 82.950 39.876 -20.411 1.00 0.00 N ATOM 1440 CA THR A 92 81.843 40.544 -21.084 1.00 0.00 C ATOM 1441 C THR A 92 80.796 39.539 -21.551 1.00 0.00 C ATOM 1442 O THR A 92 79.596 39.798 -21.471 1.00 0.00 O ATOM 1443 CB THR A 92 82.331 41.360 -22.296 1.00 0.00 C ATOM 1444 OG1 THR A 92 83.264 42.360 -21.870 1.00 0.00 O ATOM 1445 CG2 THR A 92 81.162 42.021 -23.010 1.00 0.00 C ATOM 0 H THR A 92 83.870 40.099 -20.790 1.00 0.00 H new ATOM 0 HA THR A 92 81.394 41.221 -20.357 1.00 0.00 H new ATOM 0 HB THR A 92 82.822 40.678 -22.991 1.00 0.00 H new ATOM 0 HG1 THR A 92 84.087 41.928 -21.559 1.00 0.00 H new ATOM 0 HG21 THR A 92 81.532 42.591 -23.862 1.00 0.00 H new ATOM 0 HG22 THR A 92 80.469 41.256 -23.359 1.00 0.00 H new ATOM 0 HG23 THR A 92 80.647 42.690 -22.321 1.00 0.00 H new ATOM 1453 N GLU A 93 81.259 38.392 -22.038 1.00 0.00 N ATOM 1454 CA GLU A 93 80.361 37.349 -22.518 1.00 0.00 C ATOM 1455 C GLU A 93 79.600 36.711 -21.360 1.00 0.00 C ATOM 1456 O GLU A 93 78.497 36.194 -21.536 1.00 0.00 O ATOM 1457 CB GLU A 93 81.148 36.278 -23.277 1.00 0.00 C ATOM 1458 CG GLU A 93 81.900 36.815 -24.483 1.00 0.00 C ATOM 1459 CD GLU A 93 81.739 35.938 -25.710 1.00 0.00 C ATOM 1460 OE1 GLU A 93 82.501 34.957 -25.841 1.00 0.00 O ATOM 1461 OE2 GLU A 93 80.852 36.233 -26.538 1.00 0.00 O ATOM 0 H GLU A 93 82.250 38.162 -22.110 1.00 0.00 H new ATOM 0 HA GLU A 93 79.640 37.808 -23.194 1.00 0.00 H new ATOM 0 HB2 GLU A 93 81.858 35.810 -22.595 1.00 0.00 H new ATOM 0 HB3 GLU A 93 80.461 35.499 -23.606 1.00 0.00 H new ATOM 0 HG2 GLU A 93 81.544 37.820 -24.710 1.00 0.00 H new ATOM 0 HG3 GLU A 93 82.959 36.900 -24.238 1.00 0.00 H new ATOM 1468 N VAL A 94 80.198 36.750 -20.173 1.00 0.00 N ATOM 1469 CA VAL A 94 79.578 36.177 -18.985 1.00 0.00 C ATOM 1470 C VAL A 94 78.579 37.148 -18.364 1.00 0.00 C ATOM 1471 O VAL A 94 77.641 36.737 -17.679 1.00 0.00 O ATOM 1472 CB VAL A 94 80.632 35.798 -17.928 1.00 0.00 C ATOM 1473 CG1 VAL A 94 79.964 35.218 -16.691 1.00 0.00 C ATOM 1474 CG2 VAL A 94 81.639 34.816 -18.510 1.00 0.00 C ATOM 0 H VAL A 94 81.112 37.173 -20.009 1.00 0.00 H new ATOM 0 HA VAL A 94 79.055 35.276 -19.305 1.00 0.00 H new ATOM 0 HB VAL A 94 81.167 36.701 -17.633 1.00 0.00 H new ATOM 0 HG11 VAL A 94 80.725 34.956 -15.956 1.00 0.00 H new ATOM 0 HG12 VAL A 94 79.285 35.956 -16.264 1.00 0.00 H new ATOM 0 HG13 VAL A 94 79.402 34.325 -16.966 1.00 0.00 H new ATOM 0 HG21 VAL A 94 82.377 34.558 -17.750 1.00 0.00 H new ATOM 0 HG22 VAL A 94 81.121 33.913 -18.834 1.00 0.00 H new ATOM 0 HG23 VAL A 94 82.141 35.272 -19.363 1.00 0.00 H new ATOM 1484 N LEU A 95 78.786 38.437 -18.608 1.00 0.00 N ATOM 1485 CA LEU A 95 77.903 39.468 -18.074 1.00 0.00 C ATOM 1486 C LEU A 95 76.704 39.688 -18.991 1.00 0.00 C ATOM 1487 O LEU A 95 75.556 39.511 -18.583 1.00 0.00 O ATOM 1488 CB LEU A 95 78.669 40.780 -17.893 1.00 0.00 C ATOM 1489 CG LEU A 95 79.853 40.738 -16.927 1.00 0.00 C ATOM 1490 CD1 LEU A 95 80.695 41.998 -17.059 1.00 0.00 C ATOM 1491 CD2 LEU A 95 79.366 40.568 -15.495 1.00 0.00 C ATOM 0 H LEU A 95 79.557 38.793 -19.172 1.00 0.00 H new ATOM 0 HA LEU A 95 77.537 39.131 -17.104 1.00 0.00 H new ATOM 0 HB2 LEU A 95 79.033 41.102 -18.869 1.00 0.00 H new ATOM 0 HB3 LEU A 95 77.970 41.541 -17.546 1.00 0.00 H new ATOM 0 HG LEU A 95 80.476 39.881 -17.183 1.00 0.00 H new ATOM 0 HD11 LEU A 95 81.533 41.950 -16.364 1.00 0.00 H new ATOM 0 HD12 LEU A 95 81.073 42.078 -18.078 1.00 0.00 H new ATOM 0 HD13 LEU A 95 80.083 42.870 -16.830 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.222 40.540 -14.821 1.00 0.00 H new ATOM 0 HD22 LEU A 95 78.721 41.405 -15.228 1.00 0.00 H new ATOM 0 HD23 LEU A 95 78.806 39.637 -15.409 1.00 0.00 H new ATOM 1503 N LEU A 96 76.979 40.072 -20.233 1.00 0.00 N ATOM 1504 CA LEU A 96 75.923 40.314 -21.210 1.00 0.00 C ATOM 1505 C LEU A 96 74.980 39.119 -21.299 1.00 0.00 C ATOM 1506 O LEU A 96 73.759 39.276 -21.274 1.00 0.00 O ATOM 1507 CB LEU A 96 76.530 40.602 -22.585 1.00 0.00 C ATOM 1508 CG LEU A 96 76.134 41.932 -23.227 1.00 0.00 C ATOM 1509 CD1 LEU A 96 77.190 42.377 -24.227 1.00 0.00 C ATOM 1510 CD2 LEU A 96 74.775 41.816 -23.901 1.00 0.00 C ATOM 0 H LEU A 96 77.924 40.222 -20.587 1.00 0.00 H new ATOM 0 HA LEU A 96 75.351 41.182 -20.883 1.00 0.00 H new ATOM 0 HB2 LEU A 96 77.616 40.574 -22.494 1.00 0.00 H new ATOM 0 HB3 LEU A 96 76.246 39.796 -23.262 1.00 0.00 H new ATOM 0 HG LEU A 96 76.065 42.685 -22.442 1.00 0.00 H new ATOM 0 HD11 LEU A 96 76.891 43.325 -24.674 1.00 0.00 H new ATOM 0 HD12 LEU A 96 78.145 42.501 -23.717 1.00 0.00 H new ATOM 0 HD13 LEU A 96 77.292 41.624 -25.008 1.00 0.00 H new ATOM 0 HD21 LEU A 96 74.510 42.772 -24.352 1.00 0.00 H new ATOM 0 HD22 LEU A 96 74.817 41.049 -24.674 1.00 0.00 H new ATOM 0 HD23 LEU A 96 74.023 41.544 -23.160 1.00 0.00 H new ATOM 1522 N SER A 97 75.553 37.924 -21.401 1.00 0.00 N ATOM 1523 CA SER A 97 74.763 36.702 -21.495 1.00 0.00 C ATOM 1524 C SER A 97 73.752 36.620 -20.356 1.00 0.00 C ATOM 1525 O SER A 97 72.548 36.506 -20.586 1.00 0.00 O ATOM 1526 CB SER A 97 75.678 35.476 -21.470 1.00 0.00 C ATOM 1527 OG SER A 97 74.933 34.281 -21.633 1.00 0.00 O ATOM 0 H SER A 97 76.562 37.776 -21.421 1.00 0.00 H new ATOM 0 HA SER A 97 74.219 36.721 -22.439 1.00 0.00 H new ATOM 0 HB2 SER A 97 76.421 35.556 -22.264 1.00 0.00 H new ATOM 0 HB3 SER A 97 76.222 35.443 -20.526 1.00 0.00 H new ATOM 0 HG SER A 97 75.540 33.512 -21.615 1.00 0.00 H new ATOM 1533 N HIS A 98 74.251 36.680 -19.125 1.00 0.00 N ATOM 1534 CA HIS A 98 73.392 36.613 -17.948 1.00 0.00 C ATOM 1535 C HIS A 98 72.351 37.728 -17.971 1.00 0.00 C ATOM 1536 O HIS A 98 71.230 37.556 -17.491 1.00 0.00 O ATOM 1537 CB HIS A 98 74.230 36.707 -16.673 1.00 0.00 C ATOM 1538 CG HIS A 98 73.574 36.087 -15.478 1.00 0.00 C ATOM 1539 ND1 HIS A 98 72.207 36.053 -15.302 1.00 0.00 N ATOM 1540 CD2 HIS A 98 74.106 35.471 -14.396 1.00 0.00 C ATOM 1541 CE1 HIS A 98 71.926 35.446 -14.163 1.00 0.00 C ATOM 1542 NE2 HIS A 98 73.062 35.083 -13.594 1.00 0.00 N ATOM 0 H HIS A 98 75.245 36.775 -18.917 1.00 0.00 H new ATOM 0 HA HIS A 98 72.872 35.655 -17.962 1.00 0.00 H new ATOM 0 HB2 HIS A 98 75.191 36.221 -16.843 1.00 0.00 H new ATOM 0 HB3 HIS A 98 74.437 37.756 -16.460 1.00 0.00 H new ATOM 0 HD1 HIS A 98 71.520 36.437 -15.950 1.00 0.00 H new ATOM 0 HD2 HIS A 98 75.156 35.314 -14.200 1.00 0.00 H new ATOM 0 HE1 HIS A 98 70.937 35.276 -13.765 1.00 0.00 H new ATOM 1550 N LEU A 99 72.730 38.872 -18.530 1.00 0.00 N ATOM 1551 CA LEU A 99 71.829 40.017 -18.615 1.00 0.00 C ATOM 1552 C LEU A 99 70.741 39.778 -19.657 1.00 0.00 C ATOM 1553 O LEU A 99 69.647 40.335 -19.565 1.00 0.00 O ATOM 1554 CB LEU A 99 72.614 41.283 -18.962 1.00 0.00 C ATOM 1555 CG LEU A 99 72.999 42.178 -17.784 1.00 0.00 C ATOM 1556 CD1 LEU A 99 74.466 42.572 -17.870 1.00 0.00 C ATOM 1557 CD2 LEU A 99 72.114 43.416 -17.743 1.00 0.00 C ATOM 0 H LEU A 99 73.654 39.032 -18.931 1.00 0.00 H new ATOM 0 HA LEU A 99 71.353 40.147 -17.643 1.00 0.00 H new ATOM 0 HB2 LEU A 99 73.526 40.990 -19.483 1.00 0.00 H new ATOM 0 HB3 LEU A 99 72.022 41.873 -19.662 1.00 0.00 H new ATOM 0 HG LEU A 99 72.848 41.617 -16.862 1.00 0.00 H new ATOM 0 HD11 LEU A 99 74.722 43.209 -17.023 1.00 0.00 H new ATOM 0 HD12 LEU A 99 75.085 41.675 -17.850 1.00 0.00 H new ATOM 0 HD13 LEU A 99 74.643 43.114 -18.799 1.00 0.00 H new ATOM 0 HD21 LEU A 99 72.402 44.042 -16.898 1.00 0.00 H new ATOM 0 HD22 LEU A 99 72.233 43.979 -18.669 1.00 0.00 H new ATOM 0 HD23 LEU A 99 71.072 43.115 -17.633 1.00 0.00 H new ATOM 1569 N SER A 100 71.048 38.944 -20.645 1.00 0.00 N ATOM 1570 CA SER A 100 70.097 38.633 -21.706 1.00 0.00 C ATOM 1571 C SER A 100 69.213 37.453 -21.312 1.00 0.00 C ATOM 1572 O SER A 100 68.057 37.363 -21.728 1.00 0.00 O ATOM 1573 CB SER A 100 70.836 38.319 -23.007 1.00 0.00 C ATOM 1574 OG SER A 100 69.971 37.713 -23.952 1.00 0.00 O ATOM 0 H SER A 100 71.948 38.471 -20.733 1.00 0.00 H new ATOM 0 HA SER A 100 69.463 39.506 -21.860 1.00 0.00 H new ATOM 0 HB2 SER A 100 71.250 39.237 -23.424 1.00 0.00 H new ATOM 0 HB3 SER A 100 71.676 37.656 -22.801 1.00 0.00 H new ATOM 0 HG SER A 100 70.467 37.524 -24.776 1.00 0.00 H new ATOM 1580 N TYR A 101 69.764 36.551 -20.509 1.00 0.00 N ATOM 1581 CA TYR A 101 69.028 35.375 -20.060 1.00 0.00 C ATOM 1582 C TYR A 101 67.706 35.773 -19.413 1.00 0.00 C ATOM 1583 O TYR A 101 66.728 35.025 -19.457 1.00 0.00 O ATOM 1584 CB TYR A 101 69.870 34.567 -19.071 1.00 0.00 C ATOM 1585 CG TYR A 101 69.114 33.431 -18.419 1.00 0.00 C ATOM 1586 CD1 TYR A 101 68.377 33.637 -17.259 1.00 0.00 C ATOM 1587 CD2 TYR A 101 69.137 32.153 -18.962 1.00 0.00 C ATOM 1588 CE1 TYR A 101 67.685 32.603 -16.659 1.00 0.00 C ATOM 1589 CE2 TYR A 101 68.447 31.113 -18.369 1.00 0.00 C ATOM 1590 CZ TYR A 101 67.723 31.342 -17.218 1.00 0.00 C ATOM 1591 OH TYR A 101 67.036 30.309 -16.625 1.00 0.00 O ATOM 0 H TYR A 101 70.719 36.611 -20.155 1.00 0.00 H new ATOM 0 HA TYR A 101 68.813 34.758 -20.933 1.00 0.00 H new ATOM 0 HB2 TYR A 101 70.738 34.163 -19.591 1.00 0.00 H new ATOM 0 HB3 TYR A 101 70.245 35.235 -18.296 1.00 0.00 H new ATOM 0 HD1 TYR A 101 68.345 34.623 -16.819 1.00 0.00 H new ATOM 0 HD2 TYR A 101 69.704 31.969 -19.863 1.00 0.00 H new ATOM 0 HE1 TYR A 101 67.117 32.781 -15.757 1.00 0.00 H new ATOM 0 HE2 TYR A 101 68.475 30.125 -18.805 1.00 0.00 H new ATOM 0 HH TYR A 101 67.166 29.489 -17.145 1.00 0.00 H new ATOM 1601 N LEU A 102 67.682 36.958 -18.813 1.00 0.00 N ATOM 1602 CA LEU A 102 66.480 37.459 -18.156 1.00 0.00 C ATOM 1603 C LEU A 102 65.438 37.890 -19.183 1.00 0.00 C ATOM 1604 O LEU A 102 64.235 37.759 -18.955 1.00 0.00 O ATOM 1605 CB LEU A 102 66.827 38.635 -17.241 1.00 0.00 C ATOM 1606 CG LEU A 102 67.883 38.362 -16.169 1.00 0.00 C ATOM 1607 CD1 LEU A 102 68.662 39.629 -15.852 1.00 0.00 C ATOM 1608 CD2 LEU A 102 67.233 37.805 -14.911 1.00 0.00 C ATOM 0 H LEU A 102 68.481 37.590 -18.768 1.00 0.00 H new ATOM 0 HA LEU A 102 66.060 36.651 -17.556 1.00 0.00 H new ATOM 0 HB2 LEU A 102 67.173 39.462 -17.861 1.00 0.00 H new ATOM 0 HB3 LEU A 102 65.914 38.967 -16.747 1.00 0.00 H new ATOM 0 HG LEU A 102 68.581 37.618 -16.554 1.00 0.00 H new ATOM 0 HD11 LEU A 102 69.409 39.415 -15.087 1.00 0.00 H new ATOM 0 HD12 LEU A 102 69.159 39.986 -16.754 1.00 0.00 H new ATOM 0 HD13 LEU A 102 67.978 40.395 -15.487 1.00 0.00 H new ATOM 0 HD21 LEU A 102 67.999 37.616 -14.159 1.00 0.00 H new ATOM 0 HD22 LEU A 102 66.513 38.526 -14.523 1.00 0.00 H new ATOM 0 HD23 LEU A 102 66.720 36.873 -15.148 1.00 0.00 H new